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Volumn 11, Issue 37, 2009, Pages 8275-8284

The use of nanometer-sized hydrographene species for support material for fuel cell electrode catalysts: A theoretical proposal

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EID: 70349446381     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b905866d     Document Type: Article
Times cited : (32)

References (81)
  • 60
    • 0038626673 scopus 로고    scopus 로고
    • Gaussian, Inc, Pittsburgh, PA
    • M. J. Frisch, et al., Gaussian 03, Gaussian, Inc, Pittsburgh, PA, 2003
    • (2003) Gaussian 03
    • Frisch, M.J.1
  • 72
    • 0034614061 scopus 로고    scopus 로고
    • We investigated convergence of the total energy for a single Pt attached graphene with various nk×nk×1k-point meshes (with nk = 1, 4, 5 and 6). We confirmed that the total energy is converged with nk = 5 Compared to the B3LYP method, the PW91 method is inferior in terms of reproducing experimental data
    • K. Yoshizawa T. Yumura T. Yamabe S. Bandow J. Am. Chem. Soc. 2000 122 11871
    • (2000) J. Am. Chem. Soc. , vol.122 , pp. 11871
    • Yoshizawa, K.1    Yumura, T.2    Yamabe, T.3    Bandow, S.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.