Publications

  1. Y. Sun, A. G. Kvashnin, P. B. Sorokin, B. I. Yakobson, and W. E. Billups, “Radiation-Induced Nucleation of Diamond from Amorphous Carbon: Effect of Hydrogen”, J. Phys. Chem. Lett. 5, 1924–1928 (2014)
  2. A. Kutana, E. S. Penev, B. I. Yakobson, “Engineering electronic properties of layered transition-metal dichalcogenide compounds through alloying”, Nanoscale 6, 5820–5825 (2014)
  3. M. Liu, A. Kutana, Y. Liu, and B. I. Yakobson, “First-Principles Studies of Li Nucleation on Graphene”, J. Phys. Chem. Lett. 5, 1225–1229 (2014)
  4. 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, “Nanomechanical cleavage of molybdenum disulphide atomic layers”, Nat. Commun. 5, 3631 (2014)
  5. E. S. Penev, V. I. Artyukhov, B. I. Yakobson, “Extensive Energy Landscape Sampling of Nanotube End-Caps Reveals No Chiral-Angle Bias for Their Nucleation”,  ACS Nano 8, 1899–1906 (2014)
  6. F. Xua, A. Sadrzadeha, Z. Xub, B. I. Yakobson, “XTRANS: An electron transport package for current distribution and magnetic field in helical nanostructures”, Comput. Mater. Sci. 83, 426–433 (2014)
  7. 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, “Tailoring the Physical Properties of Molybdenum Disulfide Monolayers by Control of Interfacial Chemistry”, Nano Lett. 14, 1354–1361 (2014)
  8. 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. H. MacDonald, B. I. Yakobson, J. Lou, Z. Liu, P. M. Ajayan, “Direct chemical conversion of graphene to boron- and nitrogen- and carbon-containing atomic layers”, Nat. Commun. 5, 3193 (2014)
  9. 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. 14, 676–681 (2014)
  10. X. Zhang, L. Wang, J. Xin, B. I. Yakobson, and F. Ding, “Role of Hydrogen in Graphene Chemical Vapor Deposition Growth on a Copper Surface”, J. Am. Chem. Soc. 136, 3040–3047 (2014)
  11. Y. Cai, Z. Bai, H. Pan, Y. P. Feng, B. I. Yakobson, and Y.-W. Zhang, “Constructing metallic nanoroads on a MoS2 monolayer via hydrogenation”, Nanoscale 6, 1691-1697 (2014)
  12. Z. Yan, Y. Liu, L. Ju, Z. Peng, J. Lin, G. Wang, H. Zhou, C. Xiang, E. L. G. Samuel, C. Kittrell, V. I. Artyukhov, F. Wang, B. I. Yakobson, and J. M. Tour, “Large Hexagonal Bi- and Trilayer Graphene Single Crystals with Varied Interlayer Rotations”, Angew. Chem. Int. Ed. 53, 1565–1569 (2014)
  13. G. Casillas, A. Mayoral, M. Liu, A. Ponce, V. I. Artyukhov,and B. I. Yakobson, “New insights into the properties and interactions of carbon chains as revealed by HRTEM and DFT analysis”, Carbon 66, 436–441 (2014)

    2013____________________________________________________________
  14. Z. Zhang, X. Zou, V. H. Crespi, and B. I. Yakobson, “Intrinsic Magnetism of Grain Boundaries in Two-Dimensional Metal Dichalcogenides”, ACS Nano 7, 10475–10481 (2013)Cover Article
  15. M. Liu, V. I. Artyukhov, H. Lee, F. Xu, B. I. Yakobson, “Carbyne from First Principles: Chain of C Atoms, a Nanorod or a Nanorope”, ACS Nano 7, 10075–10082 (2013)
  16. 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. Am. Chem. Soc. 135, 10755–10762 (2013)
  17. Z. Song, V. I. Artyukhov, B. I. Yakobson, and Z. Xu,  ”Pseudo Hall–Petch Strength Reduction in Polycrystalline Graphene”, Nano Lett. 13, 1829–1833 (2013)
  18. Y. Liu, V. I. Artyukhov, M. Liu, A. R. Harutyunyan, and B. I. Yakobson, “Feasibility of
    Lithium Storage on Graphene and Its Derivatives”, J. Phys. Chem. Lett. 4, 1737–1742 (2013)
  19. H. Shi, H. Pan, Y.-W. Zhang, and B. I. Yakobson, “Quasiparticle band structures and optical properties of strained monolayer MoS2 and WS2“, Phys. Rev. B 87, 155304 (2013)
  20.  S. Najmaei, Z. Liu, W. Zhou, X. Zou, G. Shi, S. Lei, B. I. Yakobson, J.-C. Idrobo, P. M. Ajayan, J. Lou, “Vapour phase growth and grain boundary structure of molybdenum disulphide atomic layers”, Nat. Mater. 12, 754–759 (2013)
  21. Y. Liu, E. S. Penev, and B. I. Yakobson, “Probing the Synthesis of Two-Dimensional Boron by First-Principles Computations”, Angew. Chem. Int. Ed. 52, 3156–3159 (2013)
  22. 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, 253–258 (2013)

    2012
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  23. V. I. Artyukhov,Y. Liu, and B. I. Yakobson,  ”Equilibrium at the edge and atomistic mechanisms of graphene growth”, Proc. Natl. Acad. Sci. USA 109, 15136–15140 (2012)
  24. H. Shi, H. Pan, Y.-W. Zhang, and B. I. Yakobson, “Electronic and Magnetic Properties of Graphene/Fluorographene Superlattices”, J. Phys. Chem. C 116, 18278–18283 (2012)
  25. E. S. Penev,  V. I. Artyukhov, F. Ding, and B. I. Yakobson, “Unfolding the Fullerene: Nanotubes, Graphene and Poly-Elemental Varieties by Simulations”, Adv. Mater. 24, 4956–4976 (2012)
  26. Y. Liu , X. Zou, and B. I. Yakobson, “Dislocations and Grain Boundaries in Two-Dimensional Boron Nitride”, ACS Nano 6, 7053–7058 (2012)
  27. A. K. Singh, and B. I. Yakobson, “First principles calculations of H-storage in sorption materials”, J. Mater. Sci. 47, 7356–7366 (2012)
  28. K. Zhao, S. Bhowmick, H. Lee, and B. I. Yakobson, “High electric field enhancement near electron-doped semiconductor nanoribbons”, Chem. Phys. Lett. (2012)
  29. 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, and B. I. Yakobson, “Metal-assisted hydrogen storage on Pt-decorated single-walled carbon nanohorns”, Carbon 50,  4953–4964 (2012)
  30. C. Zhang, K. Bets, S. S. Lee, Z. Sun, F. Mirri, V. L. Colvin, B. I. Yakobson, J. M. Tour, and R. H. Hauge, “Closed-Edged Graphene Nanoribbons from Large-Diameter Collapsed Nanotubes”, ACS Nano 6, 6023–6032 (2012)
  31. Q. Yuan, Z. Xu, B. I. Yakobson, and F. Ding, “Efficient Defect Healing in Catalytic Carbon Nanotube Growth”, Phys. Rev. Lett. 108, 245505 (2012)
  32. E. S. Penev, S. Bhowmick, A. Sadrzadeh, and B. I. Yakobson, “Polymorphism of Two-Dimensional Boron”, Nano Lett. 12, 2441–2445 (2012)
  33. R. Rao, D. Liptak,T. Cherukuri, B. I. Yakobson, and B. Maruyama, “In situ evidence for chirality-dependent growth rates of individual carbon nanotubes”, Nature Materials 11, 213–216 (2012)
  34. K. Kim, V. I. Artyukhov, W. Regan, Y. Liu, M. F. Crommie, B. I. Yakobson, and A. Zettl, “Ripping Graphene: Preferred Directions”, Nano Lett. 12, 293–297 (2012)

    2011
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  35. E. Pigos, E. S. Penev, M. A. Ribas, R. Sharma, B. I. Yakobson, and A. R. Harutyunyan, “Carbon Nanotube Nucleation Driven by Catalyst Morphology Dynamics”, ACS Nano 5, 10096–10101 (2011)
  36. Y. Sun, L. B. Alemany, W. E. Billups, J. Lu, and B. I. Yakobson, “Structural Dislocations in Anthracite”, J. Phys. Chem. Lett. 2, 2521–2524 (2011)
  37. Y. Liu, S. Bhowmick, and B.I. Yakobson, “BN White Graphene with “Colorful” Edges: The Energies and Morphology”, Nano Lett. 11, 3113–3116 (2011)
  38. P.B. Sorokin, H. Lee, L.Yu. Antipina, A.K. Singh, and B.I. Yakobson, “Calcium-Decorated Carbyne Networks as Hydrogen Storage Media”, Nano Lett. 11, 2660–2665 (2011)
  39. A.K. Singh, E.S. Penev, and B.I. Yakobson, “Armchair or Zigzag? A tool for characterizing graphene edge”, Comp. Phys. Commun. 182, 804–807 (2011)
  40. L. A. Chernozatonskii, P. B. Sorokin, A. A. Kuzubov, B. P. Sorokin, A. G. Kvashnin, D. G. Kvashnin, P. V. Avramov, and B. I. Yakobson, “Influence of Size Effect on the Electronic and Elastic Properties of Diamond Films with Nanometer Thickness”,  J. Phys. Chem. C 115, 132–136 (2011)

    2010____________________________________________________________
  41. A.K. Singh, E.S. Penev, and B.I. Yakobson, “Vacancy clusters in graphane as quantum dots”,  ACS Nano 4, 3510–3514 (2010). Cover Article
  42. E. Munoz, A.K. Singh, M.A. Ribas, E.S. Penev, and B.I. Yakobson, “The ultimate diamond slab: graphAne versus graphEne”, Diam. Relat. Mater. 19, 368–373 (2010)

    2009
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  43. F. Ding, A.R. Harutyunyan, and B. I. Yakobson, “Dislocation theory of chirality-controlled nanotube growth”, Proc. Natl. Acad. Sci. 106, 2506–2509 (2009). Cover Article
  44. A.K. Singh and B.I. Yakobson, “Electronics and magnetism of patterned graphene nanoroads”, Nano Lett. 9, 1540–1543 (2009) [pdf]
  45. M. Marchand, C. Journet, D. Guillot, J.-M. Benoit, B. I. Yakobson, and S.T. Purcell, “Growing a carbon nanotube atom by atom: ‘And yet it does turn’”,  Nano Lett. 9, 2961–2966 (2009) [pdf]
  46. K.V. Bets and B.I. Yakobson, “Spontaneous twist and intrinsic instabilities of pristine graphene nanoribbons”, Nano Research 2, 161–166 (2009). [pdf] Cover Article
  47. M.A. Ribas, F. Ding, P.B. Balbuena, and B.I. Yakobson, “Nanotube nucleation versus carbon-catalyst adhesion—Probed by molecular dynamics simulations”, J. Chem. Phys. 131, 224501 (2009) [pdf]
  48. A.K. Singh, M.A. Ribas, and B.I. Yakobson, “H-Spillover through the catalyst saturation: An ab initio thermodynamics study”, ACS Nano 3, 1657–1662 (2009) [pdf]
  49. ”Templated growth of graphenic materials”, N.W Nicholas, L.M. Connors, F. Ding, B.I Yakobson, H.K. Schmidt, and R.H Hauge, Nanotechnology 20, 245607 (2009) pdf
  50. ”In-situ observation of graphene sublimation and multi-layer edge reconstructions: Genesis of interconnected carbon nanostructures”, J.Y. Huang, F. Ding, B.I. Yakobson, P. Lu, L. Qi, and J. Li, Proc. Natl. Acad. Sci. USA 106, 10103-10108 (2009). pdf
  51. “Comment on mechanism for superelongation of carbon nanotubes at high temperatures”, F. Ding, J.Y. Huang, B.I. Yakobson, Phys. Rev. Lett103, 039601 (2009). pdf
  52. “The Boron Fullerenes”, A. Sadrzadeh and B.I. Yakobson, in: Handbook of Nanophysics, Ed. K. Sattler (Taylor & Francis, 2009) pdf

    2008____________________________________________________________ 
  53. “B80 fullerene: An ab initio prediction of geometry, stability, and electronic structure”, N. Gonzalez Szwacki,A. Sadrzadeh, and B.I. Yakobson, Phys. Rev. Lett100, 159901 (2008) pdf
  54. “Fullerene nanocage capacity for hydrogen storage”, O.V. Pupysheva, A.A. Farajian, and B.I. Yakobson, Nano Lett. 8, 767 (2008) pdf Cover Article
  55. pdf “Hydrogen storage by spillover on graphene as a phase nucleation process”, Y. Lin, F. Ding, and B.I. Yakobson, Phys. Rev. B 78, 041402(R) (2008).
  56. pdf “Polarization, energetics, and electrorheology in carbon nanotube suspensions under an applied electric field: An exact numerical approach”, A.A. Farajian, O.V. Pupysheva, Howard K. Schmidt, and B.I. Yakobson, Phys. Rev. B 77, 205432 (2008).
  57. pdf “Dislocation dynamics in multiwalled carbon nanotubes at high temperatures”, J.Y. Huang, F. Ding, and B.I. Yakobson, Phys. Rev. Lett. 100, 035503 (2008).
  58. pdf “Controlled nanocutting of graphene”, L. Ci, Z. Xu, L. Wang, W. Gao, F. Ding, K.F. Kelly, B.I. Yakobson, and P.M. Ajayan, Nano Res. 1, 116-122 (2008).
  59. pdf ”Electron transport of nanotube-based gas sensors—An ab initio study”, A. Sadrzadeh, A.A. Farajian, and B.I. Yakobson, Appl. Phys. Lett. 92, 022103 (2008).
  60. pdf ”The boron buckyball and its precursors: An electronic structure study”, A. Sadrzadeh, O.V. Pupysheva, A.K. Singh, and B.I. Yakobson, J. Phys. Chem. A 112, 13679-13683 (2008).
  61. pdf ”Low-Temperature Single-Wall Carbon Nanotubes Synthesis: Feedstock Decomposition Limited Growth”, E. Mora, J.M. Pigos, F. Ding, B.I. Yakobson, and A.R. Harutyunyan, J. Am. Chem. Soc. 130, 11840-11841 (2008).
  62. pdf “Probing properties of boron a-tubes by ab initio calculations”, A.K. Singh,A. Sadrzadeh, and B.I. Yakobson, Nano Lett. 8, 1314 (2008).
  63. pdf ”Mesoscale reverse stick-slip nanofriction behavior of vertically aligned multiwalled carbon nanotube superlattices”, J. Lou, F. Ding, H. Lu, J. Goldman, Y. Sun, and B.I. Yakobson, Appl. Phys. Lett. 92, 203115 (2008).
  64. pdf “New boron barrelenes and tubulenes”, L.A. Chernozatonskii, P.B. Sorokin, and B.I. Yakobson, JETP Letters 8, 489-493 (2008).
  65. pdf ”Friction and adhesion properties of vertically aligned multi-walled carbon nanotube arrays and fluoro-nanodiamond films”, H. Lu, J. Goldman, F. Ding, Y. Sun, M.X. Pulikkathara,V.N. Khabashesku, B.I. Yakobson, and J. Lou, Carbon 46, 1294-1301 (2008).
  66. pdf “Nonlocal shell model for flexural wave propagation in double-walled carbon nanotubes”, Y. Hu, K.M. Liew, Q. Wang, X.Q. He , and B.I. Yakobson, J. Mech. and Physics of Solids 56, 3475-3485 (2008).
  67. . . . “Quasi-One-Dimensional Silicon Nanostructures”, Y. Lin, N. Gonzalez Szwacki, and B.I. Yakobson, Chapter 8 in: Nanosilicon, Ed. V. Kumar, p. 289-313 (Elsevier, Amsterdam, ISBN-10: 0-08-044528-4, 2008).
  68. 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, Ed. Y. Kawazoe, Vol. 9, p. 219-241 (Springer, Berlin,  2008).

    2007____________________________________________________________
  69. pdf “Real time microscopy, kinetics, and mechanism of giant fullerene evaporation”, J.Y. Huang, F. Ding, K. Jiao, and B.I. Yakobson, Phys. Rev. Lett. 99, 175503 (2007). Editors’ Suggestion
  70. pdf “Pseudo-climb and dislocation dynamics in superplastic nanotubes”, F. Ding, K. Jiao, M. Wu, and B.I. Yakobson, Phys. Rev. Lett. 98, 075503 (2007).
  71. pdf “The boron buckyball”, N. Gonzalez Szwacki,A. Sadrzadeh, and B.I. Yakobson, Phys. Rev. Lett98, 166804 (2007). Editors’ Suggestion
  72. pdf “How evaporating nanotubes retain their perfection?”, F. Ding, K. Jiao, Y. Lin, and B.I. Yakobson, Nano Lett. 7, 681-684 (2007).
  73. pdf “Clustering of Sc on SWNT and reduction of hydrogen uptake: ab initio all-electron calculations”, P.O. Krasnov, F. Ding, A.K. Singh, and B.I. Yakobson, J. Phys. Chem. C, Letters 111, 17977-17980 (2007).
  74. pdf “Carbon Nanotube-Enhanced Thermal Destruction of Cancer Cells in a Non-Invasive Radiofrequency Field”, C.J. Gannon, P. Cherukuri, B.I. Yakobson, L. Cognet, C. Kittrell, M. Pasquali, R.B.. Weisman, J.S. Kanzius, R.E. Smalley, H.K. Schmidt, and S.A. Curley, Cancer 110, 2654-2665 (2007).
  75. pdf “Energy decomposition analysis of metal silicide nanowires from first principles”, N. Gonzalez Szwackiand B.I. Yakobson, Phys. Rev. B 75, 035406 (2007).
  76. pdf “Designing carbon nanoframeworks tailored for hydrogen storage”, P.F. Weck, E. Kim, N. Balakrishnan, H. Cheng, and B.I. Yakobson, Chem. Phys. Lett. 439, 354-359 (2007).
  77. pdf “Calculating carbon nanotube–catalyst adhesion strengths”, P. Larsson, J.A. Larsson, R. Ahuja, F. Ding, B.I. Yakobson, H. Duan, A. Rosén, and K. Bolton, Phys. Rev. B 75, 115419 (2007).
  78. pdf “Gate-induced switching and negative differential resistance in a single-molecule transistor: Emergence of fixed and shifting states with molecular length”, A.A. Farajian, R.V. Belosludov, H. Mizuseki, Y. Kawazoe, T. Hashizume, and B.I. Yakobson, J. Chem. Phys. 127, 024901 (2007).
  79. pdf “Nanotube derived carbon foam for hydrogen storage”, F. Ding, Y. Lin, P. Krasnov, and B.I. Yakobson, J. Chem. Phys. 127, 164703 (2007).
  80. pdf “Interaction of Low-Energy Ions and Atoms of Light Elements with a Fluorinated Carbon Molecular Lattice”, P.V. Avramov and B.I. Yakobson, J. Phys. Chem. A 111, 1508 (2007).
  81. pdf “Self-templated growth of carbon nanotube walls at high temperatures”, J.Y. Huang, F. Ding, K. Jiao and B.I. Yakobson, Small 3, 1735-1739 (2007).

    2006____________________________________________________________
  82. pdf “Symmetry, time, and temperature dependent strength of carbon nanotubes”, T. Dumitrica¸ M. Hua, and B.I. Yakobson, Proc. Natl. Acad. Sci. 103, 6105-6109 (2006). Cover Article
  83. pdf “Oxygen breaks into carbon world”, P.M. Ajayan and B.I. Yakobson, Nature 441, 818-819 (2006).