메뉴 건너뛰기




Volumn 81, Issue 15, 2010, Pages

Water adsorption and dissociation on SrTiO3 (001) revisited: A density functional theory study

Author keywords

[No Author keywords available]

Indexed keywords


EID: 77955370709     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.81.155455     Document Type: Article
Times cited : (71)

References (37)
  • 1
    • 0036571188 scopus 로고    scopus 로고
    • 10.1016/S0167-5729(01)00020-6
    • M. A. Henderson, Surf. Sci. Rep. 46, 1 (2002). 10.1016/S0167-5729(01) 00020-6
    • (2002) Surf. Sci. Rep. , vol.46 , pp. 1
    • Henderson, M.A.1
  • 12
    • 34147142511 scopus 로고    scopus 로고
    • 3 cubic perovskites: Hybrid HF-DFT LCAO calculations
    • DOI 10.1016/j.susc.2007.02.010, PII S0039602807001392
    • R. A. Evarestov, A. V. Bandura, and V. E. Alexandrov, Surf. Sci. 601, 1844 (2007). The numbers cited in Tables include a correction of 0.12 eV for the basis set superposition error as estimated by the authors. 10.1016/j.susc.2007. 02.010 (Pubitemid 46566450)
    • (2007) Surface Science , vol.601 , Issue.8 , pp. 1844-1856
    • Evarestov, R.A.1    Bandura, A.V.2    Alexandrov, V.E.3
  • 15
    • 20544463457 scopus 로고
    • 10.1103/PhysRevB.41.7892
    • D. Vanderbilt, Phys. Rev. B 41, 7892 (1990). 10.1103/PhysRevB.41.7892
    • (1990) Phys. Rev. B , vol.41 , pp. 7892
    • Vanderbilt, D.1
  • 17
    • 0142055513 scopus 로고
    • 10.1016/0167-5729(87)90001-X
    • P. A. Thiel and T. E. Madey, Surf. Sci. Rep. 7, 211 (1987). 10.1016/0167-5729(87)90001-X
    • (1987) Surf. Sci. Rep. , vol.7 , pp. 211
    • Thiel, P.A.1    Madey, T.E.2
  • 18
    • 1842816907 scopus 로고
    • 10.1103/PhysRevB.13.5188
    • H. Monkhorst and J. Pack, Phys. Rev. B 13, 5188 (1976). 10.1103/PhysRevB.13.5188
    • (1976) Phys. Rev. B , vol.13 , pp. 5188
    • Monkhorst, H.1    Pack, J.2
  • 19
    • 0034513054 scopus 로고    scopus 로고
    • Climbing image nudged elastic band method for finding saddle points and minimum energy paths
    • DOI 10.1063/1.1329672
    • B. P. Henkelman, G. Uberuaga, and H. Jonsson, J. Chem. Phys. 113, 9901 (2000). 10.1063/1.1329672 (Pubitemid 32076883)
    • (2000) Journal of Chemical Physics , vol.113 , Issue.22 , pp. 9901-9904
    • Henkelman, G.1    Uberuaga, B.P.2    Jonsson, H.3
  • 20
    • 0036572216 scopus 로고    scopus 로고
    • An object-oriented scripting interface to a legacy electronic structure code
    • DOI 10.1109/5992.998641
    • S. R. Bahn and K. W. Jacobsen, Comput. Sci. Eng. 4, 56 (2002). 10.1109/5992.998641 (Pubitemid 34562758)
    • (2002) Computing in Science and Engineering , vol.4 , Issue.3 , pp. 56-66
    • Bahn, S.R.1    Jacobsen, K.W.2
  • 22
    • 40749096832 scopus 로고    scopus 로고
    • Dynamic ion pairs in the adsorption of isolated water molecules on alkaline-earth oxide (001) surfaces
    • DOI 10.1103/PhysRevLett.100.016101
    • J. Carrasco, F. Illas, and N. Lopez, Phys. Rev. Lett. 100, 016101 (2008). 10.1103/PhysRevLett.100.016101 (Pubitemid 351388320)
    • (2008) Physical Review Letters , vol.100 , Issue.1 , pp. 016101
    • Carrasco, J.1    Illas, F.2    Lopez, N.3
  • 25
    • 0000448338 scopus 로고
    • 10.1103/PhysRevB.46.9199
    • T. L. Barr and C. R. Brundle, Phys. Rev. B 46, 9199 (1992). 10.1103/PhysRevB.46.9199
    • (1992) Phys. Rev. B , vol.46 , pp. 9199
    • Barr, T.L.1    Brundle, C.R.2
  • 27
    • 18244399822 scopus 로고
    • 10.4028/www.scientific.net/MSF.10-12.25
    • C. M. Weinert and M. Scheffler, Mat. Sci. Forum 10-12, 25 (1986). 10.4028/www.scientific.net/MSF.10-12.25
    • (1986) Mat. Sci. Forum , vol.10-12 , pp. 25
    • Weinert, C.M.1    Scheffler, M.2
  • 32
    • 0037080586 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.65.035406
    • K. Reuter and M. Scheffler, Phys. Rev. B 65, 035406 (2001). 10.1103/PhysRevB.65.035406
    • (2001) Phys. Rev. B , vol.65 , pp. 035406
    • Reuter, K.1    Scheffler, M.2
  • 34
    • 1642577314 scopus 로고
    • 2nd ed. (U.S. National Bureau of Standards, Washington, D.C.
    • D. R. Stull and H. Prophet, JANAF Thermochemical Tables, 2nd ed. (U.S. National Bureau of Standards, Washington, D.C., 1971).
    • (1971) JANAF Thermochemical Tables
    • Stull, D.R.1    Prophet, H.2
  • 36
    • 74049083340 scopus 로고    scopus 로고
    • 10.1016/j.susc.2009.11.033
    • H. Guhl, W. Miller, and K. Reuter, Surf. Sci. 604, 372 (2010). 10.1016/j.susc.2009.11.033
    • (2010) Surf. Sci. , vol.604 , pp. 372
    • Guhl, H.1    Miller, W.2    Reuter, K.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.