期刊
CATALYSIS LETTERS
卷 146, 期 12, 页码 2566-2573出版社
SPRINGER
DOI: 10.1007/s10562-016-1890-7
关键词
Nanocluster catalysts; Heterogeneous catalysis; Kinetic modeling; Computational catalysis
资金
- Inorganometallic Catalyst Design Center, an Energy Frontier Research Center - U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences (BES) [DE-SC0012702]
We demonstrate the use of gas phase metal hydroxide clusters to identify descriptors and generate scaling relationships for predicting catalytic performances of porphyrin-supported metal hydroxide catalysts. Using the gas phase clusters for these purposes takes just 5 % of the time that would have been required if the porphyrin-supported models had been used. [GRAPHICS] .
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