Surface Adsorption Energetics Studied with “Gold Standard” Wave-Function-Based Ab Initio Methods: Small-Molecule Binding to TiO2(110)
Author:
Affiliation:
1. Max Planck Institute for Chemical Energy Conversion, Stiftstr. 34−36, 45470 Mülheim an der Ruhr, Germany
2. Chair for Theoretical Chemistry and Catalysis Research Center, Technische Universität München, Lichtenbergstr. 4, 85747 Garching, Germany
Funder
Max-Planck-Gesellschaft
Bayerisches Staatsministerium für Bildung und Kultus, Wissenschaft und Kunst
Publisher
American Chemical Society (ACS)
Subject
General Materials Science,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.6b01845
Reference52 articles.
1. Bridging the gap between insightful simplicity and successful complexity: From fundamental studies on model systems to technical catalysts
2. Towards the computational design of solid catalysts
3. From the Sabatier principle to a predictive theory of transition-metal heterogeneous catalysis
4. Theoretical surface science and catalysis—calculations and concepts
5. Density functional theory in surface chemistry and catalysis
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