Publications

  1. 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, (2013),  DOI: 10.1002/anie.201207972
  2. X. Zou, Y. Liu , and B. I. Yakobson, “Predicting Dislocations and Grain Boundaries in Two-Dimensional Metal-Disulfides from the First Principles”, Nano Lett., DOI: 10.1021/nl3040042
  3. 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)
  4. 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)
  5. 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)
  6. Y. Liu , X. Zou, and B. I. Yakobson, “Dislocations and Grain Boundaries in Two-Dimensional Boron Nitride”, ACS Nano 6, 7053–7058 (2012)
  7. A. K. Singh, and B. I. Yakobson, “First principles calculations of H-storage in sorption materials”, J. Mater. Sci. 47, 7356–7366 (2012)
  8. K. Zhao, S. Bhowmick, H. Lee, and B. I. Yakobson, “High electric field enhancement near electron-doped semiconductor nanoribbons”, Chem. Phys. Lett. (2012)
  9. 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)
  10. 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)
  11. Q. Yuan, Z. Xu, B. I. Yakobson, and F. Ding, “Efficient Defect Healing in Catalytic Carbon Nanotube Growth”, Phys. Rev. Lett. 108, 245505 (2012)
  12. E. S. Penev, S. Bhowmick, A. Sadrzadeh, and B. I. Yakobson, “Polymorphism of Two-Dimensional Boron”, Nano Lett. 12, 2441–2445 (2012)
  13. 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)
  14. 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)
  15. 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)
  16. 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)
  17. Y. Liu, S. Bhowmick, and B.I. Yakobson, “BN White Graphene with “Colorful” Edges: The Energies and Morphology”, Nano Lett. 11, 3113–3116 (2011)
  18. 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)
  19. 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)
  20. 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)
  21. 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
  22. 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)
  23. 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
  24. A.K. Singh and B.I. Yakobson, “Electronics and magnetism of patterned graphene nanoroads”, Nano Lett. 9, 1540–1543 (2009) [pdf]
  25. 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]
  26. 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
  27. 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]
  28. 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]
  29. ”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
  30. ”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
  31. “Comment on mechanism for superelongation of carbon nanotubes at high temperatures”, F. Ding, J.Y. Huang, B.I. Yakobson, Phys. Rev. Lett. 103, 039601 (2009). pdf
  32. “The Boron Fullerenes”, A. Sadrzadeh and B.I. Yakobson, in: Handbook of Nanophysics, Ed. K. Sattler (Taylor & Francis, 2009) pdf
  33. “B80 fullerene: An ab initio prediction of geometry, stability, and electronic structure”, N. Gonzalez Szwacki,A. Sadrzadeh, and B.I. Yakobson, Phys. Rev. Lett. 100, 159901 (2008) pdf
  34. “Fullerene nanocage capacity for hydrogen storage”, O.V. Pupysheva, A.A. Farajian, and B.I. Yakobson, Nano Lett. 8, 767 (2008) pdf Cover Article
  35. 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).
  36. 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).
  37. 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).
  38. 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).
  39. 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).
  40. 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).
  41. 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).
  42. 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).
  43. 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).
  44. pdf “New boron barrelenes and tubulenes”, L.A. Chernozatonskii, P.B. Sorokin, and B.I. Yakobson, JETP Letters 8, 489-493 (2008).
  45. 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).
  46. 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).
  47. . . . “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).
  48. 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).
  49. 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
  50. 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).
  51. pdf “The boron buckyball”, N. Gonzalez Szwacki,A. Sadrzadeh, and B.I. Yakobson, Phys. Rev. Lett. 98, 166804 (2007). Editors’ Suggestion
  52. pdf “How evaporating nanotubes retain their perfection?”, F. Ding, K. Jiao, Y. Lin, and B.I. Yakobson, Nano Lett. 7, 681-684 (2007).
  53. 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).
  54. 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).
  55. pdf “Energy decomposition analysis of metal silicide nanowires from first principles”, N. Gonzalez Szwackiand B.I. Yakobson, Phys. Rev. B 75, 035406 (2007).
  56. 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).
  57. 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).
  58. 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).
  59. pdf “Nanotube derived carbon foam for hydrogen storage”, F. Ding, Y. Lin, P. Krasnov, and B.I. Yakobson, J. Chem. Phys. 127, 164703 (2007).
  60. 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).
  61. 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).
  62. 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
  63. pdf “Oxygen breaks into carbon world”, P.M. Ajayan and B.I. Yakobson, Nature 441, 818-819 (2006).