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Volumn 115, Issue 19, 2011, Pages 9511-9517

Density functional theory study of the oxygen reduction reaction on metalloporphyrins and metallophthalocyanines

Author keywords

[No Author keywords available]

Indexed keywords

COBALT PHTHALOCYANINE; COBALT PORPHYRINS; ELECTROCHEMICAL REDUCTIONS; ENERGY LEVEL; HIGH ENERGY; IRON PHTHALOCYANINES; IRON PORPHYRIN; METALLOPHTHALOCYANINES; METALLOPORPHYRINS; OXYGEN REDUCTION; OXYGEN REDUCTION REACTION; REDUCTION PROCESS;

EID: 79956091593     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp101036j     Document Type: Article
Times cited : (121)

References (25)
  • 12
    • 79956138834 scopus 로고    scopus 로고
    • version 2008.01; SCM: Amsterdam, The Netherlands
    • ADF program package, version 2008.01; SCM: Amsterdam, The Netherlands, 2008.
    • (2008) ADF Program Package
  • 23
    • 79956130632 scopus 로고    scopus 로고
    • 5 th ed. Chemical Physics Researching Group of Tianjin University, Eds.; Tianjin University Press: Tianjin, China, (In Chinese)
    • Chemical Physics, 5 th ed. Chemical Physics Researching Group of Tianjin University, Eds.; Tianjin University Press: Tianjin, China, 2009, (In Chinese).
    • (2009) Chemical Physics
  • 25
    • 79956127478 scopus 로고    scopus 로고
    • note
    • 1u of FePc and that of CoPc is very small (less than 0.01 eV), and it is very consistent with the results reported by M. S. Liao in ref 17, in which the spin polarization was not considered.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.