Water splitting over graphene-based catalysts: Ab initio calculations

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Title
Water splitting over graphene-based catalysts: Ab initio calculations
Author(s)
D. W. Boukhvalov; Y.-W. Son; Rodney S Ruoff
Publication Date
2014-06
Journal
ACS CATALYSIS, v.4, no.6, pp.2016 - 2021
Publisher
AMER CHEMICAL SOC
Abstract
We present first-principles modeling of water oxidation over various graphene systems, such as nitrogen-doped graphene; graphene monolayers on iron, nickel, and copper surfaces; and bi- and trilayer graphene on copper surfaces. It is shown that nitrogen-doped graphene and graphene over copper are better for this reaction than those over platinum at temperatures below 100 °C. Bi- and trilayer graphene on copper have catalytic properties similar to those of a monolayer on copper.
URI
https://pr.ibs.re.kr/handle/8788114/1546
ISSN
2155-5435
Appears in Collections:
Center for Multidimensional Carbon Materials(다차원 탄소재료 연구단) > Journal Papers (저널논문)
Files in This Item:
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