메뉴 건너뛰기




Volumn 94, Issue 4, 2009, Pages

Gold in graphene: In-plane adsorption and diffusion

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; DENSITY FUNCTIONAL THEORY; DIFFUSION; PROGRAMMING THEORY; VACANCIES;

EID: 59349105377     PISSN: 00036951     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3075216     Document Type: Article
Times cited : (98)

References (23)
  • 2
    • 33847690144 scopus 로고    scopus 로고
    • NMAACR 1476-1122 10.1038/nmat1849.
    • A. K. Geim and K. S. Novoselov, Nature Mater. NMAACR 1476-1122 10.1038/nmat1849 6, 183 (2007).
    • (2007) Nature Mater. , vol.6 , pp. 183
    • Geim, A.K.1    Novoselov, K.S.2
  • 4
    • 32144457196 scopus 로고    scopus 로고
    • SMALBC 1613-6810 10.1002/smll.200500324.
    • G. Wildgoose, C. Banks, and R. Compton, Small SMALBC 1613-6810 10.1002/smll.200500324 2, 182 (2006).
    • (2006) Small , vol.2 , pp. 182
    • Wildgoose, G.1    Banks, C.2    Compton, R.3
  • 7
    • 33744459029 scopus 로고    scopus 로고
    • SMALBC 1613-6810 10.1002/smll.200500162.
    • F. Banhart, J. Li, and M. Terrones, Small SMALBC 1613-6810 10.1002/smll.200500162 1, 953 (2005).
    • (2005) Small , vol.1 , pp. 953
    • Banhart, F.1    Li, J.2    Terrones, M.3
  • 9
    • 44949134855 scopus 로고    scopus 로고
    • SMALBC 1613-6810 10.1002/smll.200700929.
    • Y. Gan, L. Sun, and F. Banhart, Small SMALBC 1613-6810 10.1002/smll.200700929 4, 587 (2008).
    • (2008) Small , vol.4 , pp. 587
    • Gan, Y.1    Sun, L.2    Banhart, F.3
  • 10
    • 4243943295 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865.
    • J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 11
    • 25744460922 scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.50.17953.
    • P. E. Blöchl, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.50. 17953 50, 17953 (1994).
    • (1994) Phys. Rev. B , vol.50 , pp. 17953
    • Blöchl, P.E.1
  • 12
    • 15444377222 scopus 로고    scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.71.035109.
    • J. J. Mortensen, L. B. Hansen, and K. W. Jacobsen, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.71.035109 71, 035109 (2005).
    • (2005) Phys. Rev. B , vol.71 , pp. 035109
    • Mortensen, J.J.1    Hansen, L.B.2    Jacobsen, K.W.3
  • 13
    • 59349109193 scopus 로고    scopus 로고
    • We used grid spacing 0.2 Å, periodicity in graphene plane, and vacuum of 6 Å in perpendicular direction. Calculations were spin-polarized with 2×2 k -points with 60 carbon atoms. Structures were optimized to all force components less than 0.05 eV/Å. Diffusion path calculations used one k -point and 47 carbon atoms in a unit cell.
    • We used grid spacing 0.2 Å, periodicity in graphene plane, and vacuum of 6 Å in perpendicular direction. Calculations were spin-polarized with 2×2 k -points with 60 carbon atoms. Structures were optimized to all force components less than 0.05 eV/Å. Diffusion path calculations used one k -point and 47 carbon atoms in a unit cell.
  • 14
    • 51749099351 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.101.115502.
    • P. Koskinen, S. Malola, and H. Häkkinen, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.101.115502 101, 115502 (2008).
    • (2008) Phys. Rev. Lett. , vol.101 , pp. 115502
    • Koskinen, P.1    Malola, S.2    Häkkinen, H.3
  • 16
  • 18
    • 1242329035 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.1323224.
    • G. Henkelman and H. Jonsson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1323224 113, 9978 (2000).
    • (2000) J. Chem. Phys. , vol.113 , pp. 9978
    • Henkelman, G.1    Jonsson, H.2
  • 19
    • 59349113308 scopus 로고    scopus 로고
    • The paths in Fig. were optimized to maximum forces of: I and II 0.1 eV/Å (7 images in total), III 0.3 eV/Å (12 images), and IV 0.3 eV/Å (11 images).
    • The paths in Fig. were optimized to maximum forces of: I and II 0.1 eV/Å (7 images in total), III 0.3 eV/Å (12 images), and IV 0.3 eV/Å (11 images).
  • 21
    • 42049113230 scopus 로고    scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.77.155412.
    • S. Malola, H. Häkkinen, and P. Koskinen, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.77.155412 77, 155412 (2008).
    • (2008) Phys. Rev. B , vol.77 , pp. 155412
    • Malola, S.1    Häkkinen, H.2    Koskinen, P.3
  • 22
    • 0001195497 scopus 로고    scopus 로고
    • RPPHAG 0034-4885 10.1088/0034-4885/62/8/201.
    • F. Banhart, Rep. Prog. Phys. RPPHAG 0034-4885 10.1088/0034-4885/62/8/201 62, 1181 (1999).
    • (1999) Rep. Prog. Phys. , vol.62 , pp. 1181
    • Banhart, F.1
  • 23
    • 4344631508 scopus 로고    scopus 로고
    • CHPLBC 0009-2614 10.1016/j.cplett.2004.07.024.
    • A. Maiti and A. Ricca, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/j.cplett.2004.07.024 395, 7 (2004).
    • (2004) Chem. Phys. Lett. , vol.395 , pp. 7
    • Maiti, A.1    Ricca, A.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.