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Ruoff, Rodney S.
Center for Multidimensional Carbon Materials (CMCM)
Research Interests
  • Next generation carbons, ultrathin sp3-bonded carbon sheets, negative curvature (‘Schwartzites’) carbons, sp3/sp2 hybrid carbon materials, model compounds for novel carbon materials, reaction mechanisms

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Water splitting over graphene-based catalysts: Ab initio calculations

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Title
Water splitting over graphene-based catalysts: Ab initio calculations
Author
Boukhvalov, Danil W.Son, YoungwooRuoff, Rodney S.
Issue Date
2014-06
Publisher
AMER CHEMICAL SOC
Citation
ACS CATALYSIS, v.4, no.6, pp.2016 - 2021
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://scholarworks.unist.ac.kr/handle/201301/5105
URL
http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=84902192589
DOI
10.1021/cs5002288
ISSN
2155-5435
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PHY_Journal Papers
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