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Boris Yakobson

Karl F. Hasselmann Chair of Engineering, Professor of Materials Science and NanoEngineering and Professor of Chemistry

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.

Publications

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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. 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. 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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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,

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

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 Metallacarboranes: Towards promising hydrogen storage metal-organic frameworks.  JACS, 132 2010: 14126–14129

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

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

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

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

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

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

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, F. Ding, and B.I. Yakobson Hydrogen storage by spillover on graphene as a phase nucleation process.  Phys. Rev. B 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 2008In Press

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

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, 2008In Press

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

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

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

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

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

Yakobson Research

  • M.S. (1977) Novosibirsk University ()
  • Ph.D. (1982) Russian Academy of Sciences ()
  • Department of Chemistry
  • Ken Kennedy Institute for Information Technology
  • Rice Quantum Institute
  • Smalley Institute for Nanoscale Science and Technology
  • Theory of materials and nanoscale structures and processes, computational modeling, physics of imaging
Email: biy@rice.edu
Phone: (713) 348-3572
Office: Mechanical Engineering Bldg, 233