Toward Rational Design of Oxide-Supported Single-Atom Catalysts: Atomic Dispersion of Gold on Ceria
We have constructed a general thermodynamic model of chemical potentials and applied ab initio electronic structure and molecular dynamics simulations, as well as kinetic Monte Carlo analysis, to probe the dynamical, reactive, and kinetic aspects of metal single-atom catalysts (SACs) on oxide suppor...
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| Published in: | Journal of the American Chemical Society Vol. 139; no. 17; p. 6190 |
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| Main Authors: | , , |
| Format: | Journal Article |
| Language: | English |
| Published: |
United States
03.05.2017
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| ISSN: | 1520-5126, 1520-5126 |
| Online Access: | Get more information |
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