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Scholarly Interest Report
         
Boris Yakobson
Professor
Karl F. Hasselmann Chair of Engineering, Professor of Materials Science and NanoEngineering and Professor of Chemistry
 
e-mail:biy@rice.edu
 
  • M.S. (1977) Novosibirsk University
  • Ph.D. (1982) Russian Academy of Sciences
 
Primary Department
   Department of Materials Science and NanoEngineering
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Department Affiliations
 
  • Department of Chemistry
  • Ken Kennedy Institute for Information Technology
  • Rice Quantum Institute
  • Smalley Institute for Nanoscale Science and Technology
  •  
    Websites
     Yakobson Research Group
     Yakobson Research
     
    Research Areas
     Theory of materials and nanoscale structures and processes, computational modeling, physics of imaging
     
    Theoretical Materials Science
     Methods of theoretical condensed matter and chemical physics used for understanding/ predicting materials properties, and relationships between structure and function (strength, conductance, color, etc.) of nanoscale units. Advanced computations, simulation and visualization broadly assist this endeavor.
     
    Theoretical Materials Science
     Methods of theoretical condensed matter and chemical physics used for understanding/ predicting materials properties, and relationships between structure and function (strength, conductance, color, etc.) of nanoscale units. Advanced computations, simulation and visualization broadly assist this endeavor.
     
    Teaching Areas
     Theory of materials, condensed matter, computational nanoscale mechanics, Physical Properties of Solids
     
    Selected Publications
     Abstracts
     

    A. Sadrzadeh, A.A. Farajian, and B.I. Yakobson "Electron transport of nanotube-based gas sensors¿An ab initio study." Appl. Phys. Lett., 92 (2008)

     
     

    N. Gonzalez Szwacki, A. Sadrzadeh, and B.I. Yakobson "B80 fullerene: An ab initio prediction of geometry, stability, and electronic structure." Physical Review Letters (2008)

     
     Refereed articles
     

    A. Kutana, A. Goriachko, Z. Hu, H. Sachdev, H. Over, and B.I. Yakobson "Buckling patterns of graphene-boron nitride alloy on Ru(0001)." Advanced Materials Interfaces, 2, 1500322, DOI: 10.1002/admi.201500322 (2015)

     
     

    A.G. Kvashnin, P.B. Sorokin, and B.I. Yakobson "Flexoelectricity in carbon nanostructures: Nanotubes, fullerenes, and nanocones." J. Phys. Chem. Lett., 6, 2740–2744 (2015)

     
     

    E.S. Penev, V.I. Artyukhov, and B.I. Yakobson "Basic structural units in carbon fibers: atomistic models and tensile behavior." Carbon, 85, 72-78, DOI: 10.1016/j.carbon.2014.12.067 (2015)

     
     

    J. Alred, Z. Zhang, and B.I. Yakobson "Interface-induced warping in hybrid two-dimensional materials." Nano Research, 8, 2015-2013, DOI 10.1007/s12274-015-0713-2 (2015)

     
     

    J. Wu, R.M. Yadav, M. Liu, P.P. Sharma, C.S. Tiwary, L. Ma, X. Zou, X.-D. Zhou, B.I. Yakobson, J. Lou, and P.M. Ajayan "Achieving highly efficient, selective, and stable CO2 reduction on nitrogen-doped carbon nanotubes." ACS Nano, 9, 5364–5371, DOI: 10.1021/acsnano.5b01079 (2015)

     
     

    J. Yuan, S. Najmaei, Zh. Zhang, J. Zhang, S. Lei, P.M. Ajayan, B.I. Yakobson, and J. Lou "Photoluminescence quenching and charge transfer in artificial hetero-stacks of monolayer transition metal dichalcogenides and few-layer black phosphorus." ACS Nano, 9, 555, DOI: 10.1021/nn505809d (2015)

     
     

    L. Wang, A. Kutana, X. Zou, and B.I. Yakobson "Electro-mechanical anisotropy of phosphorene." Nanoscale, 7, 9746-9751, DOI: 10.1039/C5NR00355E (2015)

     
     

    M. Zhang, G. Gao, A. Kutana, Y. Wang, X. Zou, J.S. Tse, B.I. Yakobson, H. Li, H. Liu, and Y. Ma "Two-dimensional boron–nitrogen–carbon monolayers with tunable direct band gaps." Nanoscale, 7, 12023–12029 (2015)

     
     

    P.P. Sharma, J. Wu, R.M. Yadav, M. Liu, C.J. Wright, C.S. Tiwary, B.I. Yakobson, J. Lou, P.M. Ajayan, and X.-D. Zhou "Nitrogen doped carbon nanotube arrays for high efficiency electrochemical reduction of CO2: On the understanding of defects, defect density, and selectivity." Angewandte Chemie Int. Ed, 54, 13701-5, DOI: 10.1002/anie.201506062 (2015)

     
     

    Q. Li, X. Zou, M. Liu, J. Sun, Y. Gao, Y. Qi, X. Zhou, B.I. Yakobson, Y. Zhang, and Z.F. Liu "Grain boundary structures and electronic properties of hexagonal boron nitride on Cu(111)." Nano Lett. 15, 5804−5810 DOI: 10.1021/acs.nanolett.5b01852 (2015)

     
     

    S.-I. Baik, L. Ma, Y.‐J. Kim , B. Li , M. Liu , D. Isheim, B.I. Yakobson, P.M. Ajayan, and D.N. Seidman, "An atomistic tomographic study of oxygen and hydrogen atoms and their molecules in CVD grown graphene." , Small, 11, 5968-74 (2015)

     
     

    V.I. Artyukhov, Y. Hao, R.S. Ruoff, and B.I. Yakobson "Breaking of symmetry in graphene growth on metal substrates”." Phys. Rev. Lett., 114, 115502 (2015)

     
     

    X. Tian, L. Liu, Y. Du, J. Gu, J. Xu, and B.I Yakobson "Variable electronic properties of lateral phosphorene-graphene heterostructures." Phys. Chem. Chem. Phys., 17, 31685-31692, DOI: 10.1039/C5CP05443E (2015)

     
     

    X. Tian, L. Liu, Y. Du, J. Gu, J. Xu, and B.I. Yakobson "Effects of 3d transition-metal doping on electronic and magnetic properties of MoS2 nanoribbons." Phys. Chem. Chem. Phys., 17, 1831 (2015)

     
     

    X. Zou and B.I. Yakobson "An open canvas—2D materials with defects, disorder and functionality." Accounts of Chemical Research, 48, 73–80, DOI: 10.1021/ar500302q (2015)

     
     

    X. Zou and B.I. Yakobson "Metallic high-angle grain boundaries in monolayer polycrystalline WS2." Small, 11, 4503-4507, DOI: 10.1002/smll.201500811 (2015)

     
     

    X. Zou, M. Liu, Z. Shi, and B.I. Yakobson "Environment-controlled dislocation migration and superplasticity in monolayer MoS2." Nano Lett., 15, 3495–3500, DOI: 10.1021/acs.nanolett.5b00864 (2015)

     
     

    Y. Gong, H. Fei, X. Zou, W. Zhou, S. Yang, G. Ye, Z. Liu, Z. Peng, J. Lou, R. Vajtai, B.I. Yakobson, J.M. Tour, and P.M. Ajayan "Boron- and nitrogen-substituted graphene nanoribbons as efficient catalysts for oxygen reduction reaction." Chem. Mater., 27, 1181–1186 (2015)

     
     

    Z. Shi, Z. Zhang, A. Kutana, and B.I. Yakobson "Predicting two dimensional silicon carbide monolayers." ACS Nano, 9, 9802–9809, DOI: 10.1021/acsnano.5b02753 (2015)

     
     

    Z. Song, V. Artyukhov, J. Wu, B.I. Yakobson, Z. Xu "Defect-detriment to graphene strength is concealed by local probe: The topological and geometrical effects." ACS Nano, 9, 401-408, DOI: 10.1021/nn505510r (2015)

     
     

    Z. Zhang, A. Kutana, and B.I. Yakobson "Edge reconstruction-mediated graphene fracture." Nanoscale, 7, 2716-2722, DOI: 10.1039/C4NR06332e (2015)

     
     

    Z. Zhang, Y. Yang, G. Gao, and B.I. Yakobson "Two-dimensional boron monolayers mediated by metal substrates.." Angewandte Chemie Int. Ed., 54, 13022-13026, DOI: 10.1002/anie.201505425 (2015)

     
     

    Z.G. Yu, Y.-W. Zhang, and B.I. Yakobson "An anomalous formation pathway for dislocation-sulfur vacancy complexes in polycrystalline monolayer MoS2." Nano Lett., 15 (10) 6855–6861, DOI: 10.1021/acs.nanolett.5b02769 (2015)

     
     

    Z.G. Yu, Y.-W. Zhang, and B.I. Yakobson "An anomalous formation pathway for dislocation-sulfur vacancy complexes in polycrystalline monolayer MoS2." Nano Lett., 15 (10) 6855–6861, DOI: 10.1021/acs.nanolett.5b02769 (2015)

     
     

    “Dislocation motion and grain boundary migration in two dimensional WS2”, A. Aziz, X. Zou, P. Ercius, Z. Zhang, A.L. Elías, N. Perea-López, G. Stone, M. Terrones, B.I. Yakobson, and N. Alem, Nature Comm., 5, 4867, DOI: 10.1038/ncomms5867 (2014).

     
     

    “Engineering electronic properties of layered transition-metal dichalcogenide compounds through alloying”, A. Kutana, E.S. Penev, and B.I. Yakobson, Nanoscale, 6, 5820–5825, DOI: 10.1039/c4nr00177j (2014).

     
     

    A.G. Kvashnin, L.A. Chernozatonskii, B.I. Yakobson, and P.B. Sorokin "Phase Diagram of Quasi-two-dimensional Carbon, from Graphene to Diamond." Nano Lett. (2014)

     
     

    “Phase diagram of quasi-two-dimensional carbon, from graphene to diamond”, A.G. Kvashnin, L.A. Chernozatonskii, B.I. Yakobson, and P.B. Sorokin, Nano Lett., 14, 676–681 (2014).

     
     

    “Nanomechanical cleavage of molybdenum disulphide atomic layers”, D.-M. Tang, D.G. Kvashnin, S. Najmaei, Y. Bando, K. Kimoto, P. Koskinen, P.M. Ajayan, B.I. Yakobson, P.B. Sorokin, J. Lou, and D. Golberg, Nature Comm., 5, 3631 (2014).

     
     

    E.S. Penev, V.I. Artyukhov, and B.I. Yakobson "Extensive Energy Landscape Sampling of Nanotube End-caps Reveals No Chiral-angle Bias for Their Nucleation." ACS Nano (2014)

     
     

    “Basic structural units in carbon fibers: atomistic models and tensile behavior”, E.S. Penev, V.I. Artyukhov, and B.I. Yakobson, Carbon, 85, 72-78, DOI: 10.1016/j.carbon.2014.12.067 (2015).

     
     

    “Extensive energy landscape sampling of nanotube end-caps reveals no chiral-angle bias for their nucleation”, E.S. Penev, V.I. Artyukhov, and B.I. Yakobson, ACS Nano, 8, 1899–1906, DOI: 10.1021/nn406462e (2014).

     
     

    “Energy driven kinetic Monte Carlo method and its application in fullerene coalescence", F. Ding and B.I. Yakobson, J. Phys. Chem. Letters, 5, 2922–2926, DOI: 10.1021/jz501324y (2014).

     
     

    "XTRANS: An electron transport package for current distribution and magnetic field in helical nanostructures”, F. Xu, A. Sadrzadeh, Z. Xu, and B.I. Yakobson, Comp. Mater. Sci., 83, 426–433 (2014).

     
     

    F. Xu, A. Sadrzadeh, Z. Xu, and B.I. Yakobson "XTRANS: An Electron Transport Package for Current Distribution and Magnetic Field in Helical Nanostructures."  Comp. Mater. Sci., 83 (2014) : 426–433.

     
     

    “Site-percolation threshold of carbon nanotube fibers—Fast inspection of percolation with Markov stochastic theory”, F. Xu, Z. Xu, and B.I. Yakobson, Physica A: Statistical Mechanics and its Applications, 407, 341–349 (2014).

     
     

    “Conserved atomic bonding sequences and strain organization of graphene grain boundaries", H. Rasool, C. Ophus, Z. Zhang, M. Crommie, B.I. Yakobson, and A. Zettl, Nano Lett. 14, 7057–7063, DOI: 10.1021/nl503450r (2014).

     
     

    “Interface-induced warping in hybrid two-dimensional materials”, J. Alred, Z. Zhang, and B.I. Yakobson, Nano Research, DOI 10.1007/s12274-015-0713-2 (2015).

     
     

    “Laser-induced porous graphene films from commercial polymers”, J. Lin, Z. Peng, Y. Liu, F. Ruiz-Zepeda, R. Ye, E. Samuel, M.J. Yacaman, B.I. Yakobson, and J. Tour, Nature Comm., 5, 5714, doi:10.1038/ncomms6714 (2014).

     
     

    “Photoluminescence quenching and charge transfer in artificial hetero-stacks of monolayer transition metal dichalcogenides and few-layer black phosphorus”, J. Yuan, S. Najmaei, Zh. Zhang, J. Zhang, S. Lei, P.M. Ajayan, B.I. Yakobson, and J. Lou, ACS Nano, DOI: 10.1021/nn505809d (2015).

     
     

    “Many-body and spin-orbit effects on direct-indirect band gap transition of strained monolayer MoS2 and WS2“, L. Wang, A. Kutana, and B.I. Yakobson, Annalen der Physik, 526, L7–L12, DOI 10.1002/andp201400098 (2014).

     
     

    “Tailoring the physical properties of molybdenum disulfide monolayers by control of interfacial chemistry”, S. Najmaei, X. Zou, D. Er, J. Li, Z. Jin, W. Gao, Q. Zhang, S.. Park, L. Ge, S. Lei, J. Kono, V.B. Shenoy, B.I. Yakobson, A. George, P.M. Ajayan, and J. Lou, Nano Lett., 14, 1354–1361, DOI: 10.1021/nl404396p (2014).

     
     

    “Why do carbon nanotubes grow chiral?”, V.I. Artyukhov, E.S. Penev, and B.I. Yakobson, Nature Comm. 5, 4892, doi: 10.1038/ncomms5892 (2014).

     
     

    "Mechanically induced metal-insulator transition in carbyne", V.I. Artyukhov, M. Liu, and B.I. Yakobson, Nano Lett., 14, 4224–4229, DOI: 10.1021/nl5017317 (2014).

     
     

    “Role of hydrogen in graphene chemical vapor deposition growth on a copper surface”, X. Zhang, L. Wang, J. Xin, B.I. Yakobson, and F. Ding, J. Amer. Chem. Soc., 136, 3040–3047 (2014).

     
     

    “An open canvas—2D materials with defects, disorder and functionality”, X. Zou and B.I. Yakobson, Accounts of Chemical Research, DOI: 10.1021/ar500302q (2014).

     
     

    Y. Cai, Z. Bai, H. Pan, Y.P. Feng, B.I. Yakobson, and Y.-W. Zhang "Constructing Metallic Nanoroad on a MoS2 Monolayer via Hydrogenation." Nanoscale, 6 (2014) : 1691.

     
     

    “Constructing metallic nanoroad on a MoS2 monolayer via hydrogenation”, Y. Cai, Z. Bai, H. Pan, Y.P. Feng, B.I. Yakobson, and Y.-W. Zhang, Nanoscale, 6, 1691 (2014).

     
     

    "Direct chemical conversion of graphene to boron, nitrogen and carbon containing atomic layers", Y. Gong, G. Shi, Z. Zhang, W. Zhou, J. Jung, W. Gao, L. Ma, Y. Yang, S. Yang, G. You, R. Vajtai, Q. Xu, A. MacDonald, B. I. Yakobson, J. Lou, Z. Liu, and P.M. Ajayan, Nature Comm., 5, 3193 (2014).

     
     

    Y. Gong, G. Shi, Z. Zhang, W. Zhou, J. Jung, W. Gao, L. Ma, Y. Yang, S. Yang, G. You, R. Vajtai, Q. Xu, A. MacDonald, B. I. Yakobson, J. Lou, Z. Liu, and P.M. Ajayan "Direct Chemical Conversion of Graphene to Boron, Nitrogen and Carbon Containing Atomic Layers." Nature Comm., 5 (2014)

     
     

    “Vertical and in-plane heterostructures from WS2/MoS2 monolayers”, Y. Gong, J. Lin, X. Wang, G. Shi, S. Lei, Z. Lin, X. Zou, G. Ye, R. Vajtai, B.I. Yakobson, H. Terrones, M. Terrones, B.K. Tay, J. Lou, S.T. Pantelides, Z. Liu, W. Zhou, P.M. Ajayan, Nature Mater., 13, 1135–1142, doi:10.1038/nmat4091 (2014).

     
     

    “Two-dimensional mono-elemental semiconductor with electronically inactive defects: The case of phosphorus”, Y. Liu, F. Xu, Z. Zhang, E.S. Penev, and B.I. Yakobson, Nano Lett., 14, 6782–6786, DOI: 10.1021/nl5021393 (2014). – Cover article.

     
     

    “Assessing carbon-based anodes for lithium-ion batteries: A universal description of charge-transfer binding” Y. Liu, Y.M. Wang, B.I. Yakobson, and B.C. Wood, Phys. Rev. Lett., 113, 028304 (2014).

     
     

    "Strain and structure heterogeneity in MoS2 atomic layers grown by chemical vapor deposition", by Z. Liu, M. Amani, S. Najmaei, Q. Xu, X. Zou, W. Zhou, T. Yu, C. Qiu, A. Birdwell, F. Crowne, R. Vajtai, B.I. Yakobson, Z. Xia, M. Dubey, P.M. Ajayan, and J. Lou, Nature Comm., 5, 5246, doi:10.1038/ncomms6246 (2014).

     
     

    “How much N-doping can graphene sustain?” Z. Shi, A. Kutana, and B.I. Yakobson, J. Phys. Chem. Lett., 6, 106–112, DOI: 10.1021/jz502093c (2015).

     
     

    "Defect-detriment to graphene strength is concealed by local probe: The topological and geometrical effects", Z. Song, V. Artyukhov, J. Wu, B.I. Yakobson, Z. Xu, ACS Nano, DOI: 10.1021/nn505510r (2014).

     
     

    Z. Yan, Y. Liu, L. Ju, Z. Peng, J. Lin, G. Wang, H. Zhou, C. Xiang, E.L.G. Samuel, C. Kittrell, V. Artyukhov, F. Wang, B.I. Yakobson, and J.M. Tour "Large Hexagonal Bi- and Trilayer Graphene Single Crystals with Varied Interlayer Rotations." Angewandte Chemie (2014)

     
     

    “Large hexagonal bi- and trilayer graphene single crystals with varied interlayer rotations”, Z. Yan, Y. Liu, L. Ju, Z. Peng, J. Lin, G. Wang, H. Zhou, C. Xiang, E.L.G. Samuel, C. Kittrell, V. Artyukhov, F. Wang, B.I. Yakobson, and J.M. Tour, Angewandte Chemie, 53, 1565–1569, DOI: 10.1002/anie.201306317 (2014).

     
     

    “Edge reconstruction-mediated graphene fracture”, Z. Zhang, A. Kutana, and B.I. Yakobson, Nanoscale, DOI: 10.1039/C4NR06332e (2015).

     
     

    “Unraveling the sinuous grain boundaries in graphene”, Z. Zhang, Y. Yang, F. Xu, L. Wang, and B.I. Yakobson, Advanced Functional Materials, DOI: 10.1002/adfm.201403024 (2014). – Cover article.

     
     

    "Grain boundaries in hybrid two-dimensional materials", Z. Zhang, Y. Yang, and B.I. Yakobson, J. Mech. & Phys. of Solids, 70, 62–70 (2014).

     
     

    X. Zou, Y. Liu, and B.I. Yakobson "Predicting Dislocations and Grain Boundaries in Two-dimensional Metal-disulfides from the First Principles." Nano Lett., 13 (2013) : 253−258.

     
     

    F. Xu, A. Sadrzadeh, Z. Xu, and B.I. Yakobson "Can Carbon Nanotube Fibers Achieve the Ultimate Conductivity?—Coupled-mode Analysis for Electron Transport Through the Carbon Nanotube Contact."  J. Appl. Phys., 114 (2013)

     
     

    G. Casillas, A. Mayoral, M. Liu, V.I. Artyukhov, A. Poncea, B.I. Yakobson and M.J. Yacaman, Carbon "New Insights Into the Properties and Interactions of Carbon Chains as Revealed by HRTEM and DFT Analysis." Carbon, 66 (2013) : 436–441.

     
     

    H. Shi, H. Pan, Y.-W. Zhang, and B.I. Yakobson (2013). Quasiparticle band structures and optical properties of strained monolayer MoS and WS, Phys. Rev. B, 87, 155304

     
     

    H. Shi, H. Pan, Y.-W. Zhang, and B.I. Yakobson "Strong Ferromagnetism in Hydrogenated Monolayer MoS2 Tuned by Strain." Phys. Rev. B, 88 (2013) : 205305.

     
     

    H. Zhou, F. Yu, Y. Liu, X Zou, C. Cong, C. Qiu, T. Yu, Z. Yan, X. Shen, L. Sun, B.I. Yakobson, and J.M. Tour "Thickness-dependent Patterning of MoS2 Sheets with Well-oriented Triangular Pits by Heating in Air." Nano Research, 6 (2013) : 703-711 .

     
     

    M. Liu, V.I. Artyukhov, H. Lee, F. Xu, and B.I. Yakobson "Carbyne from First Principles: Chain of C Atoms, a Nanorod, or a Nanorope." ACS Nano, 7 (2013) : 10075–10082.

     
     

    M. Luo, Z. Zhang, and B.I. Yakobson "Tunable Gigahertz Oscillators of Gliding Incommensurate Bilayer Graphene Sheets."  J. Appl. Mech., 80 (2013)

     
     

    S Najmaei, Z Liu, W Zhou, X Zou, G Shi, S Lei, BI Yakobson, J-C Idrobo, PM Ajayan, and J Lou (2013). Vapour phase growth and grain boundary structure of molybdenum disulphide atomic layers, Nature Materials, 12, 754-759.

     
     

    V.I. Artyukhov, Y. Liu, and B.I. Yakobson "Getting the Most Out of Nanotubes: Guidance From Fracture Physics and Atomistics Simulations." Climb, 2 (2013) : 3-10.

     
     

    W. Zhou, X. Zou, S. Najmaei, Z. Liu, S. Zheng, Y. Shi, J. Kong, J. Lou, P. Ajayan, B.I. Yakobson, J.C. Idrobo "Intrinsic Structural Defects in Monolayer Molybdenum Disulfide." Nano Lett., 13 (2013) : 2615–2622.

     
     

    Y. Hao, M.S. Bharathi, L. Wang, Y. Liu, H. Chen, S. Nie, X. Wang, H. Chou, C. Tan, B. Fallahazad, H. Ramanarayan, C.W. Magnuson, E. Tutuc, B.I. Yakobson, K.F. McCarty, Y.-W. Zhang, P. Kim, J. Hone, L. Colombo, R.S. Ruoff "Large Single Crystal Graphene Growth on Copper: The Role of Oxygen." Science, 342 (2013) : 720-723.

     
     

    Y. Liu, E.S. Penev, and B.I. Yakobson "Probing the Synthesis of Two-dimensional Boron by First-principles Computations." Angewandte Chemie, 52 (2013) : 1-5.

     
     

    Y. Liu, V.I. Artyukhov, M. Liu, A. Harutyunyan, and B.I. Yakobson "Feasibility of Lithium Storage on Graphene and its Derivatives." J. Phys. Chem. Letters, 4 (2013) : 1737-1742.

     
     

    Z. Song, V.I. Artyukhov, B.I. Yakobson, and Z. Xu "Pseudo Hall–Petch Strength Reduction in Polycrystalline Graphene." Nano Lett, 13 (2013) : 1829–1833 .

     
     

    Z. Xu, X. Li, B.I. Yakobson, and F. Ding "Interaction Between Graphene Layers and the Mechanisms of Graphite’s Superlubricity and Self-retraction." Nanoscale, 5 (2013) : 6736–6741.

     
     

    Z. Yan, Y. Liu, J. Lin, Z. Peng, G. Wang, E. Pembroke, H. Zhou, C. Xiang, A.-R.O. Raji, E.L.G. Samuel, T. Yu, B.I. Yakobson, and J.M. Tour "Hexagonal Graphene Onion Rings."  J. Amer. Chem. Soc., 135 (2013) : 10755–10762.

     
     

    Z. Zhang, W. Guo, B.I. Yakobson "Self-modulated Band Gap in Boron Nitride Nanoribbons and Hydrogenated Sheets." Nanoscale, 5: 6381-6387.

     
     

    Z. Zhang, X. Zou, V. Crespi, and B.I. Yakobson "Intrinsic Magnetism of Grain Boundaries in Two-dimensional Metal Dichalcogenides." ACS Nano, 7 (2013) : 10475–10481.

     
     

    A.K. Singh and B.I. Yakobson "First principles calculations of H-storage in sorption materials."  J. Mater. Science (2012) In Press

     
     

    A.K. Singh and B.I. Yakobson "First principles calculations of H-storage in sorption materials." J. Mater. Science, 47 (2012) : 7356-7366.

     
     

    Ch. Zhang, K. Bets, S.-S. Lee, V. Colvin, B.I. Yakobson, J. Tour, and R. Hauge "Closed-edged graphene nanoribbons from large diameter collapsed nanotubes." ACS Nano, 7 (2012) : 6023-6032.

     
     

    Ch. Zhang, K. Bets, S.-S. Lee, V. Colvin, B.I. Yakobson, J. Tour, and R. Hauge "Closed-edged graphene nanoribbons from large diameter collapsed nanotubes." ACS Nano (2012)

     
     

    E.S. Penev, S. Bhowmick, A. Sadrzadeh, and B.I. Yakobson "Polymorphism of the two-dimensional boron." Nano Lett., 12 (2012) : 2441–2445.

     
     

    E.S. Penev, S. Bhowmick, A. Sadrzadeh, and B.I. Yakobson "Polymorphism of the two-dimensional boron." Nano Lett, 12 (2012) : 2441-2445.

     
     

    E.S. Penev, V.I. Artyukhov, F. Ding and B.I. Yakobson "Unfolding the fullerene: Nanotubes, graphene and poly-elemental varieties by simulations."  Advanced Materials, 24 (36) (2012) : 4956–4976,.

     
     

    H. Shi, H. Pan, Y.-W. Zhang, B.I. Yakobson "Electronic and magnetic properties of graphene/fluorographene superlattices."  J. Phys. Chem. C., 116 (2012) : 18278–18283.

     
     

    K. Kim, V. Artyukhov, W. Regan, Y. Liu, M. Crommie, B.I. Yakobson, and A. Zettl "Ripping graphene: Preferred directions." Nano Lett, 12 (2012) : 293-297 .

     
     

    K. Zhao, S. Bhowmick, H. Lee, and B. I. Yakobson "High electric field enhancement near electron-doped semiconductor nanoribbons." Chem. Phys. Lett., 546 (2012) : 99-105.

     
     

    K. Zhao, S. Bhowmick, H. Lee, and B. I. Yakobson "High electric field enhancement near electron-doped semiconductor nanoribbons." Chem. Phys. Lett (2012) In Press

     
     

    Q. Yuan, Z. Xu, B.I. Yakobson, and F. Ding "Efficient defect healing in catalytic carbon nanotube growth." Phys. Rev. Lett., 108 (2012) : 245505.

     
     

    Q. Yuan, Z. Xu, B.I. Yakobson, and F. Ding "Efficient defect healing in catalytic carbon nanotube growth." Phys. Rev. Lett, 108 (2012) : 245505.

     
     

    R. Rao, T. Cherukuri, B.I. Yakobson, and B. Maruyama "In situ evidence for chirality-dependent growth rates of individual carbon nanotubes." Nature Materials, 11 (2012) : 213-216.

     
     

    R. Rao, T. Cherukuri, B.I. Yakobson, and B. Maruyama "In situ evidence for chirality-dependent growth rates of individual carbon nanotubes." Nature Materials, 11 (2012) : 213-216 .

     
     

    V.I. Artyukhov, Y. Liu, and B.I. Yakobson "Equilibrium at the edge and atomistic mechanisms of graphene growth." Proc. Natl. Acad. Sci., 109 (2012) : 15136-15140.

     
     

    Y. Liu, C.M. Brown, D.A. Neumann, D.B. Geohegan, A.A. Puretzky, C.M. Rouleau, H. Hu, D. Styers-Barnett, P.O. Krasnov, B.I. Yakobson "Metal-assisted hydrogen storage on Pt-decorated single-walled carbon nano horns." Carbon, 50 (2012) : 4953–4964.

     
     

    Y. Liu, C.M. Brown, D.A. Neumann, D.B. Geohegan, A.A. Puretzky, C.M. Rouleau, H. Hu, D. Styers-Barnett, P.O. Krasnov, B.I. Yakobson "Metal-assisted hydrogen storage on Pt-decorated single-walled carbon nanohorns."  Carbon (2012) In Press

     
     

    Y. Liu, X. Zou, and B. I. Yakobson "Dislocations and grain boundaries in two-dimensional boron nitride." ACS Nano (2012)

     
     

    Y. Liu, X. Zou, and B. I. Yakobson "Dislocations and grain boundaries in two-dimensional boron nitride." ACS Nano, 6 (2012) : 7053–7058.

     
     

    Zh. Zhang, W. Guo, B.I. Yakobson "Electromechanical coupling effect on electronic properties of double-walled boron nitride nanotubes."  Acta Mechanica Sinica, 28 (2012) : 1532-1538.

     
     

    Zh. Zhang, X. Liu, B.I. Yakobson, and W. Guo "Two-dimensional tetragonal TiC monolayer sheet and nanoribbons." J. Amer. Chem. Soc., 134 (2012) : 19326.

     
     

    A.K. Singh, E.S. Penev, and B.I. Yakobson "Armchair or Zigzag? A tool for characterizing graphene edge ." Computer Physics Communications, 182: 804-807.

     
     

    P.M. Ajayan and B.I. Yakobson "Graphene—Pushing the boundaries ." Nature Mater, 10 (2011) : 415-417.

     
     

    A.K. Singh, A. Sadrzadeh, and B.I. Yakobson "Metallacarboranes: Towards promising hydrogen storage metal-organic frameworks." JACS, 132 (2010) : 14126–14129 .

     
     

    A.K. Singh, E.S. Penev, and B.I. Yakobson "Vacancy clusters in graphane as quantum dots ." ACS Nano, 4: 3510-3514.

     
     

    E. Munoz, A.K. Singh, M.A. Ribas, E.S. Penev, and B.I. Yakobson "The ultimate diamond slab: graphAne versus graphEne ." Diamond & Related Materials, 19: 368-373.

     
     

    E. Munoz, J. Lu, B.I. Yakobson "Ballistic thermal conductance of graphene ribbons ." Nano Lett., 10: 1652-1656.

     
     

    F. Ding, Z. Xu, B.I. Yakobson, R.J Young, I.A. Kinloch, S. Cui, L. Deng, P. Puech, and M. Monthioux "Formation mechanism of peapod-derived double-walled carbon nanotubes ." Phys. Rev. B (Rapid Comm.), 82: 041403 .

     
     

    J. C. Burgos, H. Reyna, B.I. Yakobson, and P.B Balbuena "Interplay of Catalyst Size and Metal-Carbon Interactions in the Growth of Single Wall Carbon Nanotubes ." J. Phys. Chem. C, 114: 6952-6958.

     
     

    L. Song; L. Ci, H. Lu, P.B. Sorokin, C. Jin, J. Ni, A.G. Kvashnin, D.G. Kvashnin, J. Lou, B.I. Yakobson, P. Ajayan "Large scale growth and characterization of atomic hexagonal boron nitride layers." Nano Lett, 10: 3209-3215 .

     
     

    P.B. Sorokin, L.A. Chernozatonskii, P.V. Avramov, and B.I. Yakobson "Magnesium boride nanotubes: Relative stability, atomic and electronic structure ." J. Phys. Chem. C, 114: 4852 .

     
     

    S. Gorantla, F. Börrnert, A. Bachmatiuk, M. Dimitrakopoulou, R. Schönfelder, F. Schäffel, J. Thomas, T. Gemming, J. H. Warner, B.I. Yakobson, J. Eckert, B. Büchner, and M.H. Rümmeli. "In-situ observations of fullerene fusion and ejection in carbon nanotubes ." Nanoscale

     
     

    Y. Liu and B.I. Yakobson "Cones, Pringles, and Grain Boundary Landscapes in Graphene Topology ." Nano Lett., 10: 2178-2183.

     
     

    Y. Liu, A. Dobrinsky, and B.I. Yakobson "Graphene edge from A to Z—and the origins of nanotube chirality." Phys. Rev. Lett, 105 (2010)

     
     

    A.K. Singh, A. Sadrzadeh, and B.I. Yakobson "Probing properties of boron a-tubes by ab initio calculations." Nano Letters, 8, (2008)

     
     

    E. Mora, J.M. Pigos, F. Ding, B.I. Yakobson, and A.R. Harutyunyan, "Low-Temperature Single-Wall Carbon Nanotubes Synthesis: Feedstock Decomposition Limited Growth." JACS (2008) In Press

     
     

    H. Lu, J. Goldman, F. Ding, Y. Sun, M.X. Pulikkathara,V.N. Khabashesku, B.I. Yakobson, and J. Lou, Carbon "Friction and adhesion properties of vertically aligned multi-walled carbon nanotube arrays and fluoro-nanodiamond films." carbon (2008)

     
     

    J.Y. Huang, F. Ding, and B.I. Yakobson "Dislocation dynamics in multiwalled carbon nanotubes at high temperatures." Appl. Phys. Lett. (2008)

     
     

    L. Ci, Z. Xu, L. Wang, W. Gao, F. Ding, K.F. Kelly, B.I. Yakobson, and P.M. Ajayan "Controlled Nanocutting of Graphene." Nano Res., 1 ((2008)) : 116-122.

     
     

    O.V. Pupysheva, A.A. Farajian, and B.I. Yakobson "Fullerene nanocage capacity for hydrogen storage." Nano Letters, 8 (2008) : 767.

     
     

    Y. Hu, K.M. Liew, Q. Wang, X.Q. He , and B.I. Yakobson "Nonlocal shell model for flexural wave propagation in double-walled carbon nanotubes." Journal of the Mechanics and Physics of Solids, (2008) In Press

     
     

    Y. Lin, F. Ding, and B.I. Yakobson "Hydrogen storage by spillover on graphene as a phase nucleation process." Phys. Rev. B (2008)

     
     

    "Mesoscale reverse stick-slip nanofriction behavior of vertically aligned multiwalled carbon nanotube superlattices." Appl. Phys. Lett., (2008)

     
     

    Ajayan, PM; Yakobson, BI "Materials science - Oxygen breaks into carbon world ." NATURE, 441 (2006/JUN) : 818-819.

     
     

    Avramov, PV; Yakobson, BI; Scuseria, GE "Mechanisms of inelastic scattering of low-energy protons by C6H6, C-60, C6F12, and C60F48 molecules ." PHYSICS OF THE SOLID STATE, 48 (2006/JAN) : 177-184.

     
     

    Yakobson, BI; Couchman, LS "Persistence length and nanomechanics of random bundles of nanotubes ." JOURNAL OF NANOPARTICLE RESEARCH, 8 (2006/FEB) : 105-110.

     
     

    A.A.Farajian, Yakobson, B., H.Mizuseki, Y. Kawazoe "Electronic Transport Through Bent Carbon Nanotubes: Nano-Electromechanical Sensors and Switches." Phys. Rev. B, 67 (2003) : 205423.

     
     

    B. I. Yakobson and L. S. Couchman "Nanomechanics of van der Waals interactions in Random Coils and Bundles of Nanotubes." Appl. Phys. Lett. (2003) In Revision

     
     

    H. F. Bettinger, B. I. Yakobson, G. E. Scuseria "Scratching the Surface of Buckminsterfullerene: The Barriers for Stone-Wales Transformation through Symmetric and Asymmetric Transition States." J. Amer. Chem. Soc., 125 (2003) : 5572.

     
     

    L. Zhiling, D. Prasad, S. Nagarajaiah, R. P. Nordgren, and B. I. Yakobson "Instability and bending snap-off in van der Waals bundles of elastic beams." J. Nanotechnology (2003) Submitted

     
     

    P. V. Avramov , G. Scuseria, B. I. Yakobson "Enhanced Ionic Permeability of Fluorinated Carbon Nanocages." J. Theor. Exp. Phys. (2003) Submitted

     
     

    P. V. Avramov, B. I. Yakobson, G. E. Scuseria "Metal-Insulator Variability Mediated by Defects in Nanotubes." JETP Letters (2003) Submitted

     
     

    T. Dumitrica and B. I. Yakobson "Ab initio computations of the bond-flip barrier and tensile yield in carbon nanotubes." J. Appl. Phys. (2003) Submitted

     
     

    T. Dumitrica, H. F. Bettinger, G. E. Scuseria, B. I. Yakobson "Thermodynamics of Yield in Boron Nitride Nanotubes." Phys. Rev. B, 68 (2003) : 085412.Submitted

     
     

    T. Dumitrica, M. E. Garcia, and B.I . Yakobson "Selective cap opening in carbon nanotubes driven by laser-induced coherent phonons." Phys. Rev. Lett., 92 (2004) In Press

     
     

    T. Dumitrica, M. Hua, and B. I. Yakobson "Ultra-thin Silicide Wires: Endohedral Si-Nanotubes?." Nano-Letters (2003) Submitted

     
     

    T. Dumitrica, T. Belytschko, and B. I. Yakobson "Bond-Breaking Bifurcation States in Carbon Nanotube Fracture." J. Chem. Phys., Communications, 118 (2003) : 21.

     
     

    Y. Zhao and B. I. Yakobson "What is the Ground State Structure of Silicon Nanowires?." Phys. Rev. Lett., 91 (2003) : 035501.

     
     

    Y. Zhao, Y. Lin, B. I. Yakobson "Covalent Cross-Linking in Nanotube Materials: Stability Analysis." J. Appl. Phys. (2003) Submitted

     
     

    Y. Zhao, Y. Lin, and B. I. Yakobson "Fullerene Shape Transformations via Stone-Wales Bond Rotations." Phys. Rev. B, 68 (2003) : 193400.

     
     

    A.A.Farajian, Yakobson, B., H.Mizuseki, Y. Kawazoe "Electronic Transport through Bent Carbon Nanotubes: Nano-Electromechanical Sensors." Phys. Rev. B (2002) Submitted

     
     

    G.G.Samsonidze, Yakobson, B. "Energetics of Stone-Wales Defects in Deformations of Monoatomic Hexagonal Layers." Computational Materials Science, 23 (2002) : 62-72.

     
     

    G.G.Samsonidze, Yakobson, B. "Kinetic Theory of Symmetry-Dependent Strength in Carbon Nanotubes." Phys. Rev. Lett., 88 (2002) : 065501.

     
     

    H.F.Bettinger, T.Dumitrica, Scuseria, G., Yakobson, B. "Mechanically Induced Defects and Strength of BN Nanotubes." Phys. Rev. B, 65 (2002) : 041406.

     
     

    P.V.Avramov , Yakobson, B. "Enhanced Ionic Permeability of Fluorinated Carbon Nanocages." Nanoletters (2002) In Revision

     
     

    T.Dumitrica, H.F.Bettinger, Scuseria, G., Yakobson, B. "Thermodynamics of Yield in Boron Nitride Nanotubes." J. Mechan. Phys. Solids (2002) Submitted

     
     

    T.Dumitrica, Landis, C., Yakobson, B. "Curvature-Induced Polarization in Carbon Nanoshells." Chem. Phys. Lett., 360 (2002) : 182-188.

     
     

    T.Dumitrica, Yakobson, B. "Bond-Breaking Bifurcation States in Carbon Nanotube Fracture." Phys. Rev. E (2002) Submitted

     
     

    Y.Zhao, Smalley, R., Yakobson, B. "Coalescence of Fullerene Cages: Topology, Energetics, and Molecular Dynamics Simulations." Phys. Rev. B, 66 (2002) : 195409.

     
     

    Y.Zhao, Yakobson, B. "Covalent Cross-Linking in Nanotube Materials: Stability Analysis." J. Chem. Phys. (2002) Submitted

     
     

    Y.Zhao, Yakobson, B. "What is the Ground State Structure of Silicon Nanowires?." Solid State Communications (2002) Submitted

     
     

    Y.Zhao, Yakobson, B., Smalley, R. "Dynamic Topology of Fullerene Coalescence." Phys. Rev. Lett., 88 (2002) : 185501.

     
     

    Yakobson, B., L.S.Couchman "Persistence Length and Nanomechanics of Random Coils and Bundles of Nanotubes." J. Chem. Phys. (2002) Submitted

     
     Articles
     

    Q. Wang, B.I. Yakobson and K.M. Liew "Recent Developments in Modeling and Applications of Carbon Nanotubes."  (2010)

     
     

    Avramov PV (Avramov, Pavel V.), Yakobson BI (Yakobson, Boris I.) "Interaction of low-energy ions and atoms of light elements with a fluorinated carbon molecular lattice." JOURNAL OF PHYSICAL CHEMISTRY A, 111 (8) (MAR 1 2007) : 1508-1514.

     
     

    Ding F (Ding, Feng), Jiao K (Jiao, Kun), Lin Y (Lin, Yu), Yakobson BI (Yakobson, Boris I.) "How evaporating carbon nanotubes retain their perfection?." NANO LETTERS, 7 (3) (MAR 2007) : 681-684.

     
     

    Ding F (Ding, Feng), Jiao K (Jiao, Kun), Wu MQ (Wu, Mingqi), Yakobson BI (Yakobson, Boris I.) "Pseudoclimb and dislocation dynamics in superplastic nanotubes." PHYSICAL REVIEW LETTERS, 98 (7) (FEB 16 2007) : Art. No. 075503.

     
     

    Farajian AA (Farajian, A. A.), Belosludov RV (Belosludov, R. V.), Mizuseki H (Mizuseki, H.), Kawazoe Y (Kawazoe, Y.), Hashizume T (Hashizume, T.), Yakobson BI (Yakobson, B. I.) "Gate-induced switching and negative differential resistance in a single-molecule transistor: Emergence of fixed and shifting states with molecular length." JOURNAL OF CHEMICAL PHYSICS, 127 (2) (JUL 14 2007) : Art. No. 024901.

     
     

    Huang JY (Huang, Jian-Yu), Ding F (Ding, Feng), Jiao K (Jiao, Kun), Yakobson BI (Yakobson, Boris I.) "Self-templated growth of carbon-nanotube walls at high temperatures." SMALL, 3 (10) (OCT 2007) : 1735-1739.

     
     

    Larsson P (Larsson, Peter), Larsson JA (Larsson, J. Andreas), Ahuja R (Ahuja, Rajeev), Ding F (Ding, Feng), Yakobson BI (Yakobson, Boris I.), Duan HM (Duan, Haiming), Rosen A (Rosen, Arne), Bolton K (Bolton, Kim) "Calculating carbon nanotube-catalyst adhesion strengths." PHYSICAL REVIEW B, 75 (11) (MAR 2007) : Art. No. 115419.

     
     

    Szwacki NG (Szwacki, N. Gonzalez), Yakobson BI (Yakobson, Boris I.) "Energy decomposition analysis of metal silicide nanowires from first principles." PHYSICAL REVIEW B, 75 (3) (JAN 2007) : Art. No. 035406.

     
     

    Szwacki NG (Szwacki, Nevill Gonzalez), Sadrzadeh A (Sadrzadeh, Arta), Yakobson BI (Yakobson, Boris I.) "B-80 fullerene: An ab initio prediction of geometry, stability, and electronic structure." PHYSICAL REVIEW LETTERS, 98 (16) (APR 20 2007) : Art. No. 166804.

     
     

    Weck PF (Weck, Philippe F.), Kim E (Kim, Eunja), Balakrishnan N (Balakrishnan, Naduvalath), Cheng HS (Cheng, Hansong), Yakobson BI (Yakobson, Boris I.) "Designing carbon nanoframeworks tailored for hydrogen storage." CHEMICAL PHYSICS LETTERS, 439 (4-6) (MAY 11 2007) : 354-359.

     
     

    Dumitrica T (Dumitrica, Traian), Garcia ME (Garcia, Martin E.), Jeschke HO (Jeschke, Harald O.), Yakobson BI (Yakobson, Boris I.) "Breathing coherent phonons and caps fragmentation in carbon nanotubes following ultrafast laser pulses." PHYSICAL REVIEW B, 74 (19) (NOV 2006) : Art. No. 193406.

     
     

    Zhang X (Zhang, X.), Jiao K (Jiao, K.), Sharma P (Sharma, P.), Yakobson BI (Yakobson, B. I.) "An atomistic and non-classical continuum field theoretic perspective of elastic interactions between defects (force dipoles) of various symmetries and application to graphene." JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS, 54 (11) (NOV 2006) : 2304-2329.

     
     

    Yakobson, B., L.S.Couchman "Supramolecular Interactions and Nanomechanics." Encyclopedia of Nanoscience and Nanotechnology (2002) Submitted

     
     Editor of books
     

    Q. Wang, B.I. Yakobson and K.M. Liew "Recent Developments in Modeling and Applications of Carbon Nanotubes." 

     
     Book chapters
     

    “An open canvas—2D materials with defects, disorder and functionality”, X. Zou and B.I. Yakobson, Accounts of Chemical Research, 48, 73–80, DOI: 10.1021/ar500302q (2015).

     
     

    B.I. Yakobson "Probing the 2-dimensional materials by computations—from hydrogen storage to graphene functionalization and patterning electronics."  (2012) : 180.

     
     

    A. Sadrzadeh and B.I. Yakobson "The Boron Fullerenes ." Handbook of Nanophysics, 2, Chap. 47: 47.1-47.9.

     
     

    A.A. Farajian, O.V. Pupysheva, B.I. Yakobson, and Y. Kawazoe "Green's Function Formulation of Electronic Transport at Nanoscale." Chapter 8 in: Nano- and Micromaterials. Advances in Materials Research Series (2008) : Vol. 9, p.219-241.

     
     

    Y. Lin, N. Gonzalez Szwacki, and B.I. Yakobson "Quasi-One-Dimensional Silicon Nanostructures." Nanosilicon (2008) : p. 289-313.

     
     

    B. C. Prorok, Y. Zhu, H. D. Espinosa, Z. Guo, Z. P. Bazant, Y. Zhao, and B. I. Yakobson "Micro and Nanomechanics." Encyclopedia of Nanoscience and Nanotechnology (2003) : 1-48.In Press

     
     

    B. I. Yakobson "Nanomechanics." Handbook of Nanoscience, Engineering and Technology (2003) : pp. 848.

     
     

    B. I. Yakobson and L. S. Couchman "Carbon Nanotubes: Supramolecular Mechanics." Encyclopedia of Nanoscience and Nanotechnology (2003)

     
     

    Yakobson, B. I., T.Dumitrica, and L. S. Couchman "Nanomechanics: Physics Between Engineering and Chemistry." Trends in Nano-Scale Mechanics (2003) : pp. 248.

     
     Book reviews
     

    Yakobson, B. I. and E. Hernandez "Tiny Cylinders of Carbon." American Journal of Physics, 72 (2004) : March.In Press

     
     

    Yakobson, B. "Tiny cylinders." American Journal of Physics (2003) Submitted

     
     Conference papers
     

    Dumitrica, T; Hua, M; Yakobson, BI "Symmetry-, time-, and temperature-dependent strength of carbon nanotubes ." PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 103 (2006/APR) : 6105-6109.

     
     

    Yakobson, B., T.Dumitrica, Y.Zhao "Strength, Failure and Healing Mechanisms in Nanotubes." Proceedings of the Tenth U.S.-Japan Conference on Composite Materials (2002) : 674-680.

     
     

    Yakobson, B., Y.Zhao, T.Dumitrica, M.Hua "Nanomechanics of Fullerene Tubules and Structures." Proceedings of the International Conference on Carbon (2002) : 1-6.

     
     Other
     

    P.V.Avramov, Yakobson, B. "A High-Yield Method of Endohedrally Encapsulating Species Inside Fluorinated Fullerene Carbon Nanocages, X@CF." US Patent Application, prov. No 11321-P057V1 (Nov 2002)

     
     

    B.I.Yakobson "Polybuckyballs." American Scientist, 89 (2001) : 181.

     
     

    B.I.Yakobson "Principles of Nanoscale Mechanics."  (2002)

     
     

    B.I.Yakobson and Ph.Avouris "Mechanical Properties of Carbon Nanotubes." Carbon Nanotubes (2000) : 293-333.

     
     

    D.Tekleab, D.L.Carroll, G.G.Samsonidze and B. I. Yakobson "Strain-Induced Electronic Property Heterogeneity of a Carbon Nanotube." Phys. Rev., 64 (2001) : 035419/5.

     
     

    G.G.Samsonidze, B.I.Yakobson "Kinetic theory of symmetry-dependent strength in carbon nanotubes." Phys. Rev. (2001)

     
     

    Ge.G.Samsonidze, Gu.G.Samsonidze, B.I.Yakobson "Thermodynamics and Kinics of Defect Formation in Strained Hexagonal Lattices." J. Appl. Phys. (2001)

     
     

    H.F.Bettinger, T.Dumitrica, G.E.Scuseria,B.I.Yakobson "Topology and Energetics of the Mechanically Significant Defects in BN Nanotubes." Phys. Rev. B, Rapid Communications, 65 (2002) : Jan 15.

     
     

    K.N.Kudin, G.E.Scuseria, and B.I.Yakobson "C2F, BN and C nano-shell elasticity by ab initio computations." Phys. Rev. B, 64 (2001) : 235406/10.

     
     

    T.Dumitrica and B.I.Yakobson "Piezoelectric Effect, Electron Trapping and Acidity of Curved Atomic Shells." J. Chem. Phys., Lett. (2001)

     
     

    Y.Zhao and B.I.Yakobson "Covalent Cross-Linking in Nanotube Materials: Stability Analysis." Appl. Phys. Lett. (2001) In Revision

     
     

    Y.Zhao, R.E.Smalley, B.I.Yakobson "Dynamic Topology of Fullerene Coalescence." Chem. Phys. Lett. (2001)

     
     

    B.I.Yakobson and A.Rubio "Elastic and Inelastic Mechanical Properties." Nanotubular Structures: Characterization and Simulation in the Atomic Scale (2001)

     
     

    B.I.Yakobson, G.Samsonidze, G.G.Samsonidze "Atomistic Theory of Mechanical Relaxation in Fullerene Nanotubes Carbon 38, 1675 (2000).." Carbon, 38 (2000) : 1675.

     
     

    H.F.Bettinger, G.E.Scuseria,B.I.Yakobson "Topology and Energetics of the Mechanically Significant Defects in BN Nanotubes." MRS Bulletin (2000)

     
     

    K.N.Kudin, G.E.Scuseria, and B.I.Yakobson "C2F, BN and C nano-shell elasticity by ab initio computations." MRS Bulletin (2000)

     
     

    M.-F.Yu, B.I.Yakobson, R.S.Ruoff "Controlled Sliding and Pullout of Nested Shells in Individual Multiwalled Carbon Nanotubes." J. Phys. Chem. B Lett., 104 (2000) : 8764-8767.

     
     

    B. I. Yakobson and A. Rubio "Mechanical Properties." Nanotubular Structures: Characterization and Simulation at the Atomic Scale (completed)

     
     

    B. I. Yakobson and Ph. Avouris "Elastic and Inelastic Mechanics." Carbon Nanotubes (in preparation)

     
     

    B. I. Yakobson, G. Samsonidze and G. G. Samsonidze "Atomistic Theory of Mechanical Relaxation in Fullerene Nanotubes." Carbon (accepted)

     
    Presentations
     Invited Papers
     

    "Unfolding the fullerene: Nanotubes, graphene and poly-elemental varieties by simulations” E.S. Penev, V.I. Artyukhov, F. Ding and B.I. Yakobson, Advanced Materials, 24 (36), 4956–4976 (2012).

     
     Invited Talks
     

    Singapore, November 19, 2014, National University of Singapore, Department of Physics, “From material substance to shape to property”.

     
     

    Hong Kong, Kowloon, November 10, 2014, Hong Kong Polytechnic University, “2D materials canvas: carbon, h-BN, metal-disulfides”.

     
     

    Orlando, Florida, January 21-23, 2015, American Ceramic Society Meeting on Electronic Materials and Applications (EMA 2015), “2D materials canvas: carbon, h-BN, metal-disulfides, and topological defects therein”.

     
     

    Cancun, Mexico, August 17-21, 2014, XXIII International Materials Research Congress, Symposium 1B: Nano/Meso-Structured Carbon. “Advances in theory of carbon nanostructured materials”.

     
     

    Cuernavaca, Mexico, March 11-14, 2014, Klein Symposium on Conjugated Carbon Systems, “Edge of sp2-carbon and theory of its growth as nanotube or graphene”.

     
     

    Shenzhen, China, November 8, 2014, Shenzhen University, College of Physics and Technology, “From material substance to shape to property, on theory of carbon nanotube growth".

     
     

    San Francisco, CA, St Regis Hotel, November 4-6, 2014, CTO Forum: Rethink Disruption. Nov 5 Panel presentation “MGI—new ‘discovery technology’?”

     
     

    Washington, DC, NASA, September 2014, Workshop: Realizing the Promise of Carbon Nanotubes – Challenges, Opportunities and the Pathway to Commercialization. “Modeling and simulations”.

     
     

    Lausanne, Switzerland, January 20-23, 2014, CECAM Workshop, “Topological defects in 2D material canvas: h-BN and metal-disulfides”.

     
     

    “Growth models for sp2-carbon: chiralless graphene and chirality-driven nanotubes”, V.I. Artyukhov, B. Yakobson, E.S. Penev, 6th Workshop on Nucleation and Growth Mechanisms of Single Wall Carbon Nanotubes, April 12-16, 2013, Bandera, TX

     
     

    "

    2D Materials and Devices--Beyond Graphene

    ." NSF-AFOSR Workshop , Washington, DC. (May 30-31)

     
     

    "

    2D Materials and devices--beyond graphene

    ." European Physical Society, CMD-24, Edinburgh, UK. (September 3-7)

     
     

    "

    Carbynes by the First Principles Computations: an Ultimate 1D-Material

    ." ASME 2012 Congress, Houston, TX. (November 9-15)

     
     

    "

    Equilibrium at the edge: atomistic mechanisms behind graphene synthesis

    ." MRS Spring Meeting, San Francisco, CA. (April 9-13, 2012) With V. Artyukhov

     
     

    "

    Equilibrium at the edge: from nanotubes to graphene and the other flat materials

    ." UTSA, Department of Physics, San Antonio, TX. (September 21, 2012)

     
     

    "

    Equilibrium at the edge: from nanotubes to graphene and the other flat materials

    ." Center for Theoretical and Mathematical Science (CTMS) , Durham, NC, Duke U. (September 18 )

     
     

    "

    From carbynes and nanotubes to grahEnes, graphAnes, and sp2-nanofoams

    ." MRS Spring Meeting, San Francisco, CA. (April 9-13, 2012)

     
     

    "

    In the Quest for Models of 2D-Materials Growth and Polycrystallinity

    ." 2nd Annual Workshop of the Texas Materials Modeling Network, Austin, TX. (December 14-15, 2012)

     
     

    "

    The Softer Side of sp2-Carbon

    ." US-Israel Emerging Technology Workshop, Boston, MA. (November 28-29, 2012)

     
     

    "In quest for models of sp2-carbon growth, polycrystallinity and functionalization." Materials Research Society Fall Meeting 2012, Boston, MA. (2012)

     
     

    "Probing the BCN-triangle by Computations—Outside the Carbon Corner." American Vacuum Society, Tampa, FL. (October 28 – November 2)

     
     

    "Title, TBD." AS-SIMEX 2012 Workshop, Helsinki-Stockholm. ( May 14-17, 2012)

     
     

    "Computational dynamics of metal-carbon interface: In quest for chirality-knob in the nanotube growth." AFOSR Organic Materials Chemistry and Molecular Design and Synthesis Conference, Gaylord National Resort, National Harbor, MD. (September 20-24, 2010)

     
     

    "Graphene edge from A to Z: Implications for nanotube chirality, and patterning for electronics." Buckyball Discovery Conference, Houston, TX. (October 11-14, 2010)

     
     

    "Theoretical Developments in Nanomechanics of Nearly-1D Materials." Materials Science & Technology Conference MS&T-10, Houston, TX. (October 18-21, 2010)

     
     

    Speaker.  "Challenges in Modeling One-Dimensional Materials." Grand Challenges in Modeling the Assembly and Properties of Nanomaterials, Argonne National Laboratory. (8-20-2003)

     
     

    co-author.  "Material modification with high-power laser pulses: Nanotuubes and nanowires." Free University of Berlin, seminar, Berlin, Germany. (May 7, 2003) With B. I. Yakobson and T. Dumitrica

     
     

    Speaker.  "Materials by Numbers, and Why to 'Malitiscale'?." TA&M University, College Station, TX. (12-16-2003)

     
     

    Speaker.  "Mechanics of ~1D Materials: Nanowires and nanotubes." US Congress on Computational Mechanics, Albuquerque, NM. (July 27-30, 2003) With B. I. Yakobson, T. Dumitrica, L. S. Couchman, M. Hua, Y. Zhao

     
     

    Speaker.  "Nanomechanics of ~1D-Materials: Bulk vs Surface in Nanowires, Nanotubes, and Their Assemblies." Materials Research Society, Boston, Prudential Convention Center. (12-05-2003)

     
     

    Speaker.  "Nearly-One-Dimensional Materials." NanoDays-2003, Rice University, Houston, TX. (October 12-14, 2003)

     
     

    Speaker.  "One-dimensional materials for nanoscale devices." Electrochemical Society Congress, Paris, France. (April 27-30)

     
     

    Speaker.  "SWNT-fiber modeling and computed properties." ONR Workshop on Carbon Nanomaterials, U Penn., Philadelphia, PA. (October 24, 2003) With Y. Zhao, T. Dumitrica, B. I. Yakobson

     
     

    Speaker.  "Simulations of one-dimensional structures for materials applications." NASA URETI Center, University of Houston. (June 14-15)

     
     

    Speaker.  "Atomic Mechanics and Reversibility of Failure at the Nanoscale." Department of Aerospace Engineering, Texas A&M University, College Station, TX. (18 April 2002)

     
     

    Presenter.  "Atomic Mechanics and Reversibility of Failure in Nanoscale." 5th World Congress on Computational Mechanics (Computational Nanotechnology Symposium), Vienna, Austria. (7-12 July 2002) With H.F.Bettinger, T.Dumitrica, M.Hua, G.G.Samsonidze, D.J.-C.Yeh, Y.-W.Yip, Y.Zhao

     
     

    Speaker.  "Exploring nanomechanics with a theory toolbox." Department of Mechanical and Industrial Engineering, University of Illinois at Urbana-Champaign, IL. (30 April 2002)

     
     

    Speaker.  "Fracture Patterns and Kinetics in Decomposition of Solids." Center for Materials Computations, University of Illinois at Urbana-Champaign, IL. (1 May 2002)

     
     

    Presenter.  "Fullerene Nanotubes: Advanced Properties for Advanced Applications." Departments of Mechanical Engineering, Textile, and Electrical Engineering, Hong Kong Polytechnic University. (24 September 2002)

     
     

    Presenter.  "Introduction to Electromagnetic Properties of Nanotubes." Lockheed Martin Corporation, Dallas Fort Worth. (4 October 2002)

     
     

    Presenter.  "Kinetic Models of Strength, Failure and Welding of Nanotubes." International Mechanical Engineering Congress, New Orleans, Louisiana. (17-22 November 2002) With T.Dumitrica, M.Hua, and Y.Zhao

     
     

    Presenter.  "Learning Nanomechanics of the ~1D-Materials: Wires, Tubes and their Siblings." Modeling and Simulation for Materials/Institute for Pure and Applied Mathematics, UCLA, Los Angeles, CA. (19-22 November 2002)

     
     

    Speaker.  "Mechanics at Small Scale." Department of Mechanical Engineering, Northwestern University, Evanston, IL. (3 May 2002)

     
     

    Presenter.  "Modeling of Property Enhancing Processes for SWNT Fiber." ONR Program Review, Newport News, Virginia. (9-11 December 2002)

     
     

    Lunch-time speaker.  "Molecules as Materials." Department of Chemistry, Rice University. (3 April 2002)

     
     

    Presenter, Session Chair.  "Nanomechanics of Fullerene Tubules and Structures." International Conference Carbon?02, Beijing, China. (15-20 September 2002) With Y.Zhao, T.Dumitrica, M.Hua

     
     

    Keynote speaker for Symposium, Session co-Chair.  "Nanoscale Mechanics of Fullerene Tubes and Structures." 14th US National Congress of Theoretical and Applied Mechanics, Blacksburg, VA. (23-28 June 2002) With Y.Zhao, L.S.Couchman

     
     

    Presenter.  "Physics and computations of yield defects, fracture and relaxation in nanotubes." Department of Mechanical Engineering, University of Houston. (10 October 2002)

     
     

    Invited author.  "Strength, Failure and Healing Mechanisms in Nanotubes." 10th US-Japan Conference on Composite Materials, Stanford University, CA. (16-19 September 2002) With T.Dumitrica, Y.Zhao

     
     

    Presenter.  "Theory of Mechanical Relaxation in Fullerene Nanotubes." Departments of Physics and Mechanical Engineering, University of Science and Technology, Hong Kong. (26 September 2002)

     
     

    Presenter/panelist.  "Trustworthy Simulations for Nanotech." NanoBusiness Spring-2000, The Roosevelt Hotel, New York, NY. (19-21 May 2002)

     
     Keynote Speaker
     

    "

    Graphene Edge from A to Z—about Carbon and h-BN, their Grain Boundaries, and Integrated Structures

    ." ASME 2012 Congress, Houston, TX. (November 9-15)

     
     

    "

    Nanomechanics and Catalytic growth of 1D- and 3D-Carbon Forms

    ." ASME 2012 Congress, Houston, TX. (November 9-15)

     
     

    "

    Probing the 2-dimensional materials by computations—from hydrogen storage to graphene functionalization and patterning electronics

    ." Ho Chi Minh, Vietnam. (August 18-22)

     
     

    "From CNT strength to growth: A few overarching concepts." IV International Conference on Nanotechnology and Space Elevator Systems, Luxembourg, Luxembourg. (December 3-5, 2010)

     
     

    "In Quest for Chirality Knob in the Nanotube Growth." Materials Research Society Spring Meeting, San Francisco, CA. (April 5-9, 2010)

     
     

    "Nanomechanics of Graphene and its Chemical Derivatives." ICCE-18 International Conference on Composites Engineering, Anchorage, Alaska, USA,. (July 4010, 2010)

     
     

    "Winning in carbon Tetris--The atomistics of nanotubes and graphene growth." Physical Society of Brazil, Campinas, Brazil. (May10-14, 2010)

     
     Lectures
     

    "

    Carbons: from diamonds to space elevator and future electronics

    ." National University of Singapore, Singapore. ( January 10, 2012)

     
     

    "

    Theory and Simulations of Low-Dimensional Materials: Nanowires, Nanotubes, and 2D-layers

    ." A*STAR (Agency for Science, Technology and Research), Singapore. (January 3-6, 2012)

     
     

    "

    Topology and geometry versus atomistics and chemistry of low-dimensional materials

    ." Institute for Mathematical Sciences (NUS), Singapore. (January 10, 2012)

     
     

    Plenary speaker.  "Buckytubes: New Materials and New Devices from Carbon." International Conference Carbon?02, Beijing, China. (15-20 September 2002)

     
     

    Presenter.  "Nanomechanical Properties." School of Continuing Studies, Rice University. (16 October 2002)

     
     Other
     

    Presenter.  "Computational Modeling of Carbon Nanofibers for Advanced Applications." 2nd AUTEX World Conference, Brugge, Belgium. (1-3 July 2002)

     
     

    Co-author.  "From Nanomechanics to Persistence Length." POLYCHAR-10 World Forum, Denton, TX. (8-11 January 2002) With Y.-W. Yip

     
     

    Author.  "Fullerene Coalescence as a Junction Engineering for Nanoelectronics." 49th AVS International Symposium, Denver, Colorado. (3-8 November 2002)

     
     

    "Atomistic Modeling of Advanced Fibers." invited talk, 2000 ASME International Mechanical Engineering Congress, Orlando, FL. (November 5-10, 2000)

     
     

    "Atomistic modeling for CNT composite design." invited presentation at the AFRL Materials Directorate planning workshop, WPAFB, OH. (September 22, 2000)

     
     

    "C2F, BN and C nano-shell elasticity by ab initio computations." MRS Fall Meeting, Boston, MA. (November 27 - December 30, 2000) With Kostya Kudin, Gustavo Scuseria

     
     

    "Elastic mechanics and vibrations in nanoscale." invited presentation at the Naval Research Laboratory, Physical Acoustics Branch, Washington, DC. (May 17, 2000)

     
     

    "Mechanical properties and relaxation mechanisms in fullerene nanotubes." invited lecture, Workshop Nanostructures-2000, Cagliary/Sardinia, Italy. (October 4-6, 2000)

     
     

    "Mechanics in Fullerene Nanotubes." invited talk, International Union of Materials Research Societies, Hong Kong. (July 23-26, 2000) With Georgii Samsonidze, Guram Samsonidze

     
     

    "Mechanics of carbon nanotubes: A few questions to Rajasinghe." invited lecture, Gordon Research Conferences, Composites, Ventura, CA. (January 9-14, 2000)

     
     

    "Physics of structural relaxation in nanoscale." invited seminar in Shinshu University, Nagano, Japan. (July 19, 2000)

     
     

    "Strain-induced electronic property heterogeneity of a carbon nanotube." MRS Fall Meeting, Boston, MA. (November 27 - December 30, 2000) With D.Tekleab, D.L.Carroll, G.G.Samsonidze

     
     

    "Theoretical models in nanotube mechanics." invited presentation, Air Force Research Laboratory -- Rice University Workshop, Houston, TX. (January 17, 2000)

     
     

    "Theory of structural relaxation in nanoscale in application to CNT and BN-tubes." invited seminar at NEC Corporation Research Center, Tokyo, Japan. (July 21, 2000)

     
     

    "Topology and energetics of the mechanically-significant defects in BN nanotubes." MRS Fall Meeting, Boston, MA. (November 27 - December 30, 2000) With Holger Bettinger, Gustavo Scuseria

     
     

    "What Should Happen If One Strained a Carbon Nanotube?." Ge.Samsonidze, B.I.Yakobson, A Micro/Nanotechnology Conference Nanospace 2000 - Advancing the Human Frontier, Houston, TX. (January 23-28, 2000)

     
     

    "Nanotubes: Mechanical properties and perspective on composite application." invited lecture, NanoteC'99, Brighton, UK. (September 8 - 10, 1999)

     
     

    "Structural mechanics in small dimensions." invited talk, Civil Engineering Seminar, Duke University. (March 22, 1999)

     
     

    "Theory of fullerene nanotube mechanics with perspective on technological applications." invited lecture, RAMNAS, Dayton, OH. (October 27-28, 1999)

     
     

    "Theory of mechanical relaxation in fullerene nanotubes." invited lecture, Fullerenes'99/Elsevier Science, Chateau de Bonas, France. (August 29 - September 2, 1999)

     
     

    "Time reversal and 'acoustic lens' imaging." invited presentation, ONR-NRL Workshop, Washington, DC. (August 19, 1999) With David M. Pierson, Tony F. Clark

     
     Seminar Speaker
     

    "

    Carbons: from diamonds to space elevator and future electronics

    ." University of Cincinnati, School of Dynamics Systems, Cincinnati, OH. (January 20, 2012)

     
     

    "

    Catalytic growth: How does carbon self-assemble into sp2-networks?

    ." City University, Department of Physics and Materials Science, Hong Kong. (January 16, 2012)

     
     

    "

    Equilibrium at the edge: Theory of graphene growth, polycrystallinity, and materials ‘beyond graphene'

    ." A*STAR (Agency for Science, Technology and Research), Singapore. (August 17, 2012.)

     
     

    "

    Growth mechanisms of sp2-carbon---chiral nanotubes and polycrystalline graphene

    ." NIST, Gaithersburg, MD. (June 1)

     
     

    "

    Probing the BCN-triangle by computations—Outside the carbon corner

    ." Army Research Laboratory, Adelphi, MD. (May 29 )

     
     Workshops
     

    “Topological defects in 2D material canvas: h-BN and metal-disulfides” CECAM Workshop, January 20-23, Lausanne, Switzerland

     
     

    Speaker.  "Overview of Theoretical Methods for Nanoscale Fibers and Materials." Materials Directorate, Wright Patterson Research Laboratory (AFRL), Dayton, OH. (21-22 February 2002)

     
    Editorial Positions
     Member of the Editorial Board, Advances in Theoretical and Applied Mechanics. (2012 - 2015)

     Member of the Editorial Board, Research Letters in Nanotechnology. Hindawi Publishing. (2007 - 2015)

     Other, Crystallography of Materials, IUCr (International Union of Crystallography). (2012 - 2015)

     Member of the Editorial Board, Scientific Reports. Nature Publishing Group. (2013 - 2015)

     Member of the Editorial Board, Journal of Nanoparticle Research. Kluwer. (1998 - 2015)

     Member of the Editorial Board, Open Condensed Matter Physics Reviews. (2007 - 2015)

    Supervised Theses & Dissertations
     Mingqin Wu, MS-Thesis “Modeling of Carbon Nanotube Array Separation in Electrolytes and by Chemical Functionalization”. (2006) (Thesis Director)

     Ming Hua, Doctor of Philosophy Computer simulations on Mechanical and electrical properties of nanoscale materials. (2014) (Thesis Director)

     Jianxin Lu, PhD Simulations of Carbon Nano-Structures for High-Strength Composites, Thermal Transport, and Hydrogen Storage. (2015) (Thesis Director)

     Yuanyue Liu, PhD Computational study of synthesis, structure, property and application of low-dimentional materials. (2015) (Thesis Director)

     Mingjie Liu, PhD NA. (2016) (Thesis Director)

     Yang Yang, PhD NA. (2016) (Thesis Director)

     Ksenia Bets, Phd NA. (2016) (Thesis Director)

     Ming Luo, PhD NA. (2016) (Thesis Director)

     Thierry Bienven Tsafack Tsopbeng, PhD NA. (2017) (Thesis Director)

     Luqing Wang, PhD NA. (2018) (Thesis Director)

     John Alred, Phd NA. (2018) (Thesis Director)

     Nitant Gupta, PhD NA. (2020) (Thesis Director)

     Jincheng Lei, PhD NA. (2020) (Thesis Director)

     Shan-Ann Yu, PhD NA. (2022) (Thesis Director)

    Awards, Prizes, & Fellowships
     Distinguished Faculty Associate at Brown College, Rice University, Rice University (2014)

     Distinguished Faculty Associate at Brown College, Rice University

     Distinguished Faculty Associate at Brown College, Rice University (2012)

     Hydrogen Program Special Recognition Award, Department of Energy (2010)

     Nano 50 Innovator Award, Nanotech Briefs (2008)

     Department of Energy R & D Award, (2008)

     Distiguished Faculty Associate at Brown College, Rice University (04-22-2002)

     Member, American Society of Mechanical Engineers (2000)

     Scientific Advisor, Atomasoft Corporation, Quebec, Canada (2000)

     Reviewer, South Carolina Comission on Higher Education, Columbia, SC (October, 2000)

     Reviewer for the Panel, Air Force Office of Scientific Research (September, 2000)

     Reviewer, Binational Science Foundation (September, 2000)

     Editorial Board Member, Journal of Nanoparticle Research (1998-present)

     Member, Materials Research Society (2000)

    Positions Held
     Scientific Advisor, Cognitech, Inc.. (1993 - 2013)

     Engineering Divisional Advisor, Faculty Associate, Brown College, Rice University. (2000 - 2013)

     Commission on Crystallography of Materials, IUCr (International Union of Crystallography). (2012 - 2013)

     Karl F. Hasselmann Chair in Engineering, Rice University. (2009 - 2015)

     Professor, Department of Materials Science and NanoEngineering, Rice University, Rice University. (2014 - 2015)

     Professor, Dept of Mechanical Engineering & Materials Science , Rice University. (2005 - 2014)