☆ 4.6 Article

Hole Localization and Thermochemistry of Oxidative Dehydrogenation of Aqueous Rutile TiO2(110)

CHEMCATCHEM (2012)

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Journal

CHEMCATCHEM
Volume 4, Issue 5, Pages 636-640

Publisher

WILEY-V C H VERLAG GMBH
DOI: 10.1002/cctc.201100498

Keywords

density functional theory; free energy calculations; proton coupled electron transfer; water oxidation

Categories

Chemistry, Physical

Funding

  1. Emmanuel College at Cambridge
  2. Swiss National Supercomputing Centre (CSCS)
  3. EPSRC [EP/F038356/1] Funding Source: UKRI
  4. Engineering and Physical Sciences Research Council [EP/F038356/1] Funding Source: researchfish

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