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Volumn 307, Issue , 2014, Pages 158-164

Study on structural, electronic and magnetic properties of Sn atom adsorbed on defective graphene by first-principle calculations

Author keywords

Adsorption; Defective graphene; First principles; Semiconductor; Sn

Indexed keywords

ADSORPTION; ATOMS; BOND LENGTH; CALCULATIONS; CHARGE TRANSFER; ENERGY GAP; FERMI LEVEL; LOCAL DENSITY APPROXIMATION; MAGNETIC MOMENTS; MAGNETIC PROPERTIES; SEMICONDUCTOR MATERIALS; TIN; VACANCIES;

EID: 84901298188     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2014.04.005     Document Type: Article
Times cited : (32)

References (50)
  • 6
    • 67650357876 scopus 로고    scopus 로고
    • Dielectric screening enhanced performance in graphene FET
    • F. Chen, J. Xia, D.K. Ferry, and N. Tao Dielectric screening enhanced performance in graphene FET Nano Lett. 9 2009 2571 2574
    • (2009) Nano Lett. , vol.9 , pp. 2571-2574
    • Chen, F.1    Xia, J.2    Ferry, D.K.3    Tao, N.4
  • 7
    • 67649371233 scopus 로고    scopus 로고
    • Finite size effects on the gate leakage current in graphene nanoribbon field-effect transistors
    • L.F. Mao Finite size effects on the gate leakage current in graphene nanoribbon field-effect transistors Nanotechnology 20 2009 275203 275206
    • (2009) Nanotechnology , vol.20 , pp. 275203-275206
    • Mao, L.F.1
  • 9
    • 84873390351 scopus 로고    scopus 로고
    • Doped graphene as a material for oxygen reduction reaction in hydrogen fuel cells: A computational study
    • M. Kaukonen, A.V. Krasheninnikov, E. Kauppinen, and R.M. Nieminen Doped graphene as a material for oxygen reduction reaction in hydrogen fuel cells: a computational study ACS Catal. 3 2013 159 165
    • (2013) ACS Catal. , vol.3 , pp. 159-165
    • Kaukonen, M.1    Krasheninnikov, A.V.2    Kauppinen, E.3    Nieminen, R.M.4
  • 10
    • 84863197506 scopus 로고    scopus 로고
    • Sn nanoparticles grown on graphene for enhanced electrochemical properties
    • Z. Qin, Z. Li, M. Zhang, B. Yang, and R. Outlaw Sn nanoparticles grown on graphene for enhanced electrochemical properties J. Power Sources 217 2012 303 308
    • (2012) J. Power Sources , vol.217 , pp. 303-308
    • Qin, Z.1    Li, Z.2    Zhang, M.3    Yang, B.4    Outlaw, R.5
  • 11
    • 70449336487 scopus 로고    scopus 로고
    • Sn/graphene nanocomposite with 3D architecture for enhanced reversible lithium storage in lithium ion batteries
    • G.X. Wang, B. Wang, X.L. Wang, J.S. Park, S.X. Dou, H. Ahn, and K. Kim Sn/graphene nanocomposite with 3D architecture for enhanced reversible lithium storage in lithium ion batteries J. Mater. Chem. 19 44 2009 8378 8384
    • (2009) J. Mater. Chem. , vol.19 , Issue.44 , pp. 8378-8384
    • Wang, G.X.1    Wang, B.2    Wang, X.L.3    Park, J.S.4    Dou, S.X.5    Ahn, H.6    Kim, K.7
  • 12
    • 79952362065 scopus 로고    scopus 로고
    • Graphene-based nanomaterials for energy storage
    • M. Pumera Graphene-based nanomaterials for energy storage Energy Environ. Sci. 4 3 2011 668 674
    • (2011) Energy Environ. Sci. , vol.4 , Issue.3 , pp. 668-674
    • Pumera, M.1
  • 13
    • 44949134855 scopus 로고    scopus 로고
    • One and two dimensional diffusion of metal atoms in graphene
    • Y. Gan, L. Sun, and F. Banhart One and two dimensional diffusion of metal atoms in graphene Small 4 2008 587 591
    • (2008) Small , vol.4 , pp. 587-591
    • Gan, Y.1    Sun, L.2    Banhart, F.3
  • 14
    • 79952603040 scopus 로고    scopus 로고
    • Metal-graphene interaction studied via atomic resolution scanning transmission electron microscopy
    • R. Zan, U. Bangert, Q. Ramasse, and K.S. Novoselov Metal-graphene interaction studied via atomic resolution scanning transmission electron microscopy Nano Lett. 11 3 2011 1087 1092
    • (2011) Nano Lett. , vol.11 , Issue.3 , pp. 1087-1092
    • Zan, R.1    Bangert, U.2    Ramasse, Q.3    Novoselov, K.S.4
  • 15
    • 80054014149 scopus 로고    scopus 로고
    • Evolution of gold nanostructures on graphene
    • R. Zan, U. Bangert, Q. Ramasse, and K.S. Novoselov Evolution of gold nanostructures on graphene Small 7 20 2011 2868 2872
    • (2011) Small , vol.7 , Issue.20 , pp. 2868-2872
    • Zan, R.1    Bangert, U.2    Ramasse, Q.3    Novoselov, K.S.4
  • 17
    • 84864657693 scopus 로고    scopus 로고
    • Direct experimental evidence of metal-mediated etching of suspended graphene
    • Q. Ramasse, R. Zan, U. Bangert, D.W. Boukhvalov, and Y.W. Son Direct experimental evidence of metal-mediated etching of suspended graphene ACS Nano 6 5 2012 4063 4071
    • (2012) ACS Nano , vol.6 , Issue.5 , pp. 4063-4071
    • Ramasse, Q.1    Zan, R.2    Bangert, U.3    Boukhvalov, D.W.4    Son, Y.W.5
  • 18
    • 45749127809 scopus 로고    scopus 로고
    • First-principles study of metal adatom adsorption on graphene
    • K.T. Chan, J. Neaton, and M.L. Cohen First-principles study of metal adatom adsorption on graphene Phys. Rev. B 77 2008 235430 235441
    • (2008) Phys. Rev. B , vol.77 , pp. 235430-235441
    • Chan, K.T.1    Neaton, J.2    Cohen, M.L.3
  • 19
    • 84862300093 scopus 로고    scopus 로고
    • Metals on graphene: Correlation between adatom adsorption behavior and growth morphology
    • X. Liu, C.Z. Wang, M. Hupalo, W. Lu, M.C. Tringides, Y. Yao, and K.M. Ho Metals on graphene: correlation between adatom adsorption behavior and growth morphology Phys. Chem. Chem. Phys. 14 2012 9157 9166
    • (2012) Phys. Chem. Chem. Phys. , vol.14 , pp. 9157-9166
    • Liu, X.1    Wang, C.Z.2    Hupalo, M.3    Lu, W.4    Tringides, M.C.5    Yao, Y.6    Ho, K.M.7
  • 20
    • 33745795945 scopus 로고    scopus 로고
    • Formation and interaction of hydrated alkali metal ions at the graphite-water interface
    • S. Meng, and S. Gao Formation and interaction of hydrated alkali metal ions at the graphite-water interface J. Chem. Phys. 125 2006 014708 014710
    • (2006) J. Chem. Phys. , vol.125 , pp. 014708-014710
    • Meng, S.1    Gao, S.2
  • 21
    • 22944486998 scopus 로고    scopus 로고
    • Two-dimensional hydration shells of alkali metal ions at a hydrophobic surface
    • S. Meng, D.V. Chakarov, B. Kasemo, and S. Gao Two-dimensional hydration shells of alkali metal ions at a hydrophobic surface J. Chem. Phys. 121 2004 12572 12576
    • (2004) J. Chem. Phys. , vol.121 , pp. 12572-12576
    • Meng, S.1    Chakarov, D.V.2    Kasemo, B.3    Gao, S.4
  • 22
    • 77955912439 scopus 로고    scopus 로고
    • Trends in the adsorption of 3d transition metal atoms onto graphene and nanotube surfaces: A DFT study and molecular orbital analysis
    • H. Valencia, A. Gil, and G. Frapper Trends in the adsorption of 3d transition metal atoms onto graphene and nanotube surfaces: a DFT study and molecular orbital analysis J. Phys. Chem. C 114 2010 14141 14153
    • (2010) J. Phys. Chem. C , vol.114 , pp. 14141-14153
    • Valencia, H.1    Gil, A.2    Frapper, G.3
  • 23
    • 77955759474 scopus 로고    scopus 로고
    • Transition metal adatom and dimer adsorbed on graphene: Induced magnetization and electronic structures
    • C. Cao, M. Wu, J. Jiang, and H.P. Cheng Transition metal adatom and dimer adsorbed on graphene: induced magnetization and electronic structures Phys. Rev. B 81 2010 205424 205432
    • (2010) Phys. Rev. B , vol.81 , pp. 205424-205432
    • Cao, C.1    Wu, M.2    Jiang, J.3    Cheng, H.P.4
  • 26
    • 34948871509 scopus 로고    scopus 로고
    • Engineering of nanostructured carbon materials with electron or ion beams
    • A.V. Krasheninnikov, and F. Banhart Engineering of nanostructured carbon materials with electron or ion beams Nat. Mater. 6 10 2007 723 733
    • (2007) Nat. Mater. , vol.6 , Issue.10 , pp. 723-733
    • Krasheninnikov, A.V.1    Banhart, F.2
  • 27
    • 77952610519 scopus 로고    scopus 로고
    • First-principles study of substitutional metal impurities in graphene: Structural, electronic and magnetic properties
    • E.J. Santos, A. Ayuela, and D. Sánchez-Portal First-principles study of substitutional metal impurities in graphene: structural, electronic and magnetic properties New J. Phys. 12 2010 053012 053044
    • (2010) New J. Phys. , vol.12 , pp. 053012-053044
    • Santos, E.J.1    Ayuela, A.2    Sánchez-Portal, D.3
  • 29
    • 77953642848 scopus 로고    scopus 로고
    • First-principles study of the IVA group atoms adsorption on graphene
    • H. Gao, J. Zhou, M. Lu, W. Fa, and Y. Chen First-principles study of the IVA group atoms adsorption on graphene J. Appl. Phys. 107 2010 114311 114316
    • (2010) J. Appl. Phys. , vol.107 , pp. 114311-114316
    • Gao, H.1    Zhou, J.2    Lu, M.3    Fa, W.4    Chen, Y.5
  • 30
    • 84855372464 scopus 로고    scopus 로고
    • First-principles studies of Pb doping in graphene: Stability, energy gap and spin-orbit splitting
    • D. Ma, and Z. Yang First-principles studies of Pb doping in graphene: stability, energy gap and spin-orbit splitting New J. Phys. 13 2011 123018 123028
    • (2011) New J. Phys. , vol.13 , pp. 123018-123028
    • Ma, D.1    Yang, Z.2
  • 31
    • 84879401674 scopus 로고    scopus 로고
    • Metals on graphene: Interactions, growth morphology, and thermal stability
    • X. Liu, C.Z. Wang, M. Hupalo, H.Q. Lin, K.M. Ho, and M.C. Tringides Metals on graphene: interactions, growth morphology, and thermal stability Crystals 3 1 2013 79 111
    • (2013) Crystals , vol.3 , Issue.1 , pp. 79-111
    • Liu, X.1    Wang, C.Z.2    Hupalo, M.3    Lin, H.Q.4    Ho, K.M.5    Tringides, M.C.6
  • 32
    • 2442537377 scopus 로고    scopus 로고
    • Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
    • G. Kresse, and J. Furthmüller Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Phys. Rev. B 54 1996 11169 11185
    • (1996) Phys. Rev. B , vol.54 , pp. 11169-11185
    • Kresse, G.1    Furthmüller, J.2
  • 33
    • 0030190741 scopus 로고    scopus 로고
    • Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
    • G. Kresse, and J. Furthmuller Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Comput. Mater. Sci. 6 1996 15 50
    • (1996) Comput. Mater. Sci. , vol.6 , pp. 15-50
    • Kresse, G.1    Furthmuller, J.2
  • 34
    • 25744460922 scopus 로고
    • Projector augmented-wave method
    • P.E. Blöchl Projector augmented-wave method Phys. Rev. B 50 1994 17953 17979
    • (1994) Phys. Rev. B , vol.50 , pp. 17953-17979
    • Blöchl, P.E.1
  • 35
    • 4243943295 scopus 로고    scopus 로고
    • Generalized gradient approximation made simple
    • J.P. Perdew, K. Burke, and M. Ernzerhof Generalized gradient approximation made simple Phys. Rev. Lett. 77 1996 3865 3868
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3865-3868
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 36
    • 0034513054 scopus 로고    scopus 로고
    • A climbing image nudged elastic band method for finding saddle points and minimum energy paths
    • G. Henkelman, B.P. Uberuaga, and H. Jónsson A climbing image nudged elastic band method for finding saddle points and minimum energy paths J. Chem. Phys. 113 2000 9901 9904
    • (2000) J. Chem. Phys. , vol.113 , pp. 9901-9904
    • Henkelman, G.1    Uberuaga, B.P.2    Jónsson, H.3
  • 37
    • 1242329035 scopus 로고    scopus 로고
    • Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points
    • G. Henkelman, and H. Jónsson Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points J. Chem. Phys. 113 2000 9978 9985
    • (2000) J. Chem. Phys. , vol.113 , pp. 9978-9985
    • Henkelman, G.1    Jónsson, H.2
  • 38
    • 41949085799 scopus 로고    scopus 로고
    • Optimization methods for finding minimum energy paths
    • D. Sheppard, R. Terrell, and G. Henkelman Optimization methods for finding minimum energy paths J. Chem. Phys. 128 2008 134106 134115
    • (2008) J. Chem. Phys. , vol.128 , pp. 134106-134115
    • Sheppard, D.1    Terrell, R.2    Henkelman, G.3
  • 40
    • 33745753520 scopus 로고    scopus 로고
    • A fast and robust algorithm for Bader decomposition of charge density
    • G. Henkelman, A. Arnaldsson, and H. Jónsson A fast and robust algorithm for Bader decomposition of charge density Comput. Mater. Sci. 36 2006 354 360
    • (2006) Comput. Mater. Sci. , vol.36 , pp. 354-360
    • Henkelman, G.1    Arnaldsson, A.2    Jónsson, H.3
  • 42
    • 77953287273 scopus 로고    scopus 로고
    • Deposition of metal clusters on single-layer graphene/Ru(0 0 0 1): Factors that govern cluster growth
    • Z. Zhou, F. Gao, and D.W. Goodman Deposition of metal clusters on single-layer graphene/Ru(0 0 0 1): factors that govern cluster growth Surf. Sci. 604 13 2010 31 38
    • (2010) Surf. Sci. , vol.604 , Issue.13 , pp. 31-38
    • Zhou, Z.1    Gao, F.2    Goodman, D.W.3
  • 48
    • 0026836808 scopus 로고
    • STM investigation of single layer graphite structures produced on Pt(1 1 1) by hydrocarbon de-composition
    • T.A. Landa, T. Michelya, R.J. Behmc, J.C. Hemmingerb, and G. Comsaa STM investigation of single layer graphite structures produced on Pt(1 1 1) by hydrocarbon de-composition Surf. Sci. 264 1992 261 270
    • (1992) Surf. Sci. , vol.264 , pp. 261-270
    • Landa, T.A.1    Michelya, T.2    Behmc, R.J.3    Hemmingerb, J.C.4    Comsaa, G.5
  • 49
    • 67049136583 scopus 로고    scopus 로고
    • Chemical vapour deposition: Making graphene on a large scale
    • A.N. Obraztsov Chemical vapour deposition: making graphene on a large scale Nat. Nanotechnol. 4 4 2009 212 213
    • (2009) Nat. Nanotechnol. , vol.4 , Issue.4 , pp. 212-213
    • Obraztsov, A.N.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.