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Volumn 48, Issue 43, 2009, Pages 8006-8009

Resolving the atomic structure of vanadia monolayer catalysts: Monomers, trimers, and oligomers on ceria

Author keywords

Density functional calculations; Nanoparticles; Structure elucidation; Surface chemistry; Thin films

Indexed keywords

DENSITY FUNCTIONAL THEORY; MONOMERS; NANOPARTICLES; SURFACE CHEMISTRY; THIN FILMS;

EID: 70349974309     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.200903085     Document Type: Article
Times cited : (150)

References (48)
  • 36
    • 85034395872 scopus 로고    scopus 로고
    • M. V. Ganduglia-Pirovano, C. Popa, J. Sauer, H. L. Abbott, A. Uhl, M. Baron, D. Stacchiola, O. Bondarchuk, S. Shaikhutdinov, H. J. Freund, unpublished results.
  • 43
    • 85034400432 scopus 로고    scopus 로고
    • C. Popa, M. V. Ganduglia-Pirovano, J. Sauer, unpublished results.
  • 45
    • 37649032701 scopus 로고    scopus 로고
    • Note that harmonic V=O frequencies calculated by DFT are systematically higher than observed frequencies, which has been taken into account by using scale factors such as 0.967 or 0.958. Here we refer to unscaled frequencies.
    • V Brâzdovâ, M. V Ganduglia-Pirovano, J. Sauer, Phys. Rev. B 2004, 69, 165420. Note that harmonic V=O frequencies calculated by DFT are systematically higher than observed frequencies, which has been taken into account by using scale factors such as 0.967 or 0.958. Here we refer to unscaled frequencies.
    • (2004) Phys. Rev. B , vol.69 , pp. 165420
    • Brâzdovâ, V.1    V Ganduglia-Pirovano, M.2    Sauer, J.3
  • 47
    • 85034407692 scopus 로고    scopus 로고
    • vasp.5.1.49 ed., http://cms.mpi.univie.ac.at/vasp/.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.