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Volumn 114, Issue 6, 2013, Pages

Molecular dynamics simulations of single-layer molybdenum disulphide (MoS2): Stillinger-Weber parametrization, mechanical properties, and thermal conductivity

Author keywords

[No Author keywords available]

Indexed keywords

CLASSICAL MOLECULAR DYNAMICS; EMPIRICAL POTENTIALS; INTERATOMIC INTERACTIONS; MECHANICAL AND THERMAL PROPERTIES; MOLECULAR DYNAMICS SIMULATIONS; MOLYBDENUM DISULPHIDE; POTENTIAL PARAMETERS; STILLINGER-WEBER POTENTIALS;

EID: 84883434784     PISSN: 00218979     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4818414     Document Type: Article
Times cited : (373)

References (72)
  • 2
    • 46449100294 scopus 로고    scopus 로고
    • 10.1126/science.1158180
    • D. Li and R. B. Kaner, Science 320, 1170 (2008). 10.1126/science.1158180
    • (2008) Science , vol.320 , pp. 1170
    • Li, D.1    Kaner, R.B.2
  • 3
    • 67649225738 scopus 로고    scopus 로고
    • 10.1126/science.1158877
    • A. K. Geim, Science 324, 1530 (2009). 10.1126/science.1158877
    • (2009) Science , vol.324 , pp. 1530
    • Geim, A.K.1
  • 6
    • 79960644631 scopus 로고    scopus 로고
    • 10.1038/nmat3064
    • A. A. Balandin, Nature Mater. 10, 569 (2011). 10.1038/nmat3064
    • (2011) Nature Mater. , vol.10 , pp. 569
    • Balandin, A.A.1
  • 20
  • 23
    • 80054932141 scopus 로고    scopus 로고
    • 10.1039/c1jm12942b
    • K. Chang and W. Chen, J. Mater. Chem. 21, 17175 (2011). 10.1039/c1jm12942b
    • (2011) J. Mater. Chem. , vol.21 , pp. 17175
    • Chang, K.1    Chen, W.2
  • 34
  • 45
    • 0000726819 scopus 로고
    • 10.1103/PhysRevLett.56.632
    • J. Tersoff, Phys. Rev. Lett. 56, 632 (1986). 10.1103/PhysRevLett.56.632
    • (1986) Phys. Rev. Lett. , vol.56 , pp. 632
    • Tersoff, J.1
  • 46
    • 16444366630 scopus 로고
    • 10.1103/PhysRevB.37.6991
    • J. Tersoff, Phys. Rev. B 37, 6991 (1988). 10.1103/PhysRevB.37.6991
    • (1988) Phys. Rev. B , vol.37 , pp. 6991
    • Tersoff, J.1
  • 47
    • 7544236735 scopus 로고
    • 10.1103/PhysRevB.38.9902
    • J. Tersoff, Phys. Rev. B 38, 9902 (1988). 10.1103/PhysRevB.38.9902
    • (1988) Phys. Rev. B , vol.38 , pp. 9902
    • Tersoff, J.1
  • 48
    • 4243420264 scopus 로고
    • 10.1103/PhysRevLett.61.2879
    • J. Tersoff, Phys. Rev. Lett. 61, 2879 (1988). 10.1103/PhysRevLett.61.2879
    • (1988) Phys. Rev. Lett. , vol.61 , pp. 2879
    • Tersoff, J.1
  • 49
    • 27744577658 scopus 로고
    • 10.1103/PhysRevB.39.5566
    • J. Tersoff, Physical Review B 39, 5566 (1989). 10.1103/PhysRevB.39.5566
    • (1989) Physical Review B , vol.39 , pp. 5566
    • Tersoff, J.1
  • 53
    • 84883378498 scopus 로고    scopus 로고
    • Lammps, see.
    • Lammps, see http://www.cs.sandia.gov/~sjplimp/lammps.html (2012).
    • (2012)
  • 54
    • 0037690739 scopus 로고
    • 10.1016/0039-6028(89)90053-8
    • F. F. Abraham and I. P. Batra, Surf. Sci. 209, L125 (1989). 10.1016/0039-6028(89)90053-8
    • (1989) Surf. Sci. , vol.209 , pp. 125
    • Abraham, F.F.1    Batra, I.P.2
  • 56
    • 0141991888 scopus 로고    scopus 로고
    • 10.1016/S0927-0256(03)00104-6
    • A. Kokalj, Comput. Mater. Sci. 28, 155 (2003). 10.1016/S0927-0256(03) 00104-6
    • (2003) Comput. Mater. Sci. , vol.28 , pp. 155
    • Kokalj, A.1
  • 61
    • 65249134190 scopus 로고    scopus 로고
    • 10.1021/nl802853e
    • S. Y. Kim and H. S. Park, Nano Lett. 9, 969 (2009). 10.1021/nl802853e
    • (2009) Nano Lett. , vol.9 , pp. 969
    • Kim, S.Y.1    Park, H.S.2
  • 67
    • 0344341434 scopus 로고
    • 10.1080/00268979400100171
    • T. Ikeshoji and B. Hafskjold, Mol. Phys. 81, 251 (1994). 10.1080/00268979400100171
    • (1994) Mol. Phys. , vol.81 , pp. 251
    • Ikeshoji, T.1    Hafskjold, B.2
  • 72
    • 84883341682 scopus 로고    scopus 로고
    • See supplementary material at E-JAPIAU-114-006332 for the Stillinger-Weber potential script for LAMMPS and the modified a i r s w. c source file for LAMMPS.
    • See supplementary material at http://dx.doi.org/10.1063/1.4818414 E-JAPIAU-114-006332 for the Stillinger-Weber potential script for LAMMPS and the modified p a i r s w. c p p source file for LAMMPS.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.