期刊
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 13, 期 34, 页码 15437-15441出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c1cp21776c
关键词
-
资金
- CASPUR consortium [std10-254]
- CINECA consortium [IscrB-SPLITH2O]
- European Research Council [240624]
- Berlin cluster of excellence on Unifying Concepts in Catalysis (UniCat)
- European Union (SOLAR-H2 consortium)
Ab initio molecular dynamics simulations of a recently proposed cobalt-based catalyst for water oxidation provide insight into the properties of protons at the water/oxide interface. Calculations and X-ray absorption spectroscopy data indicate a cubane-like structure of the catalyst, support the occurrence of protonated mu(2)-O atoms, suggest deprotonated mu(3)-O atoms and the presence of sites promoting low-barrier hydrogen bonds.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据