Geometric and electronic characteristics of active sites on TiO2-supported Au nano-catalysts: insights from first principles
Abstract
Quantum chemical and ab initio thermodynamic calculations were used to investigate the mechanism of CO
* Corresponding authors
a
Department of Chemical Engineering, University of Michigan, Ann Arbor, MI, USA
E-mail:
linic@umich.edu
Quantum chemical and ab initio thermodynamic calculations were used to investigate the mechanism of CO
S. Laursen and S. Linic, Phys. Chem. Chem. Phys., 2009, 11, 11006 DOI: 10.1039/B912641D
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