Data for: Insight into the Catalytic Mechanism of NO Oxidation and the Role of NO2 in Fast Selective Catalytic Reduction DeNOx at Low-Temperature over MnOx/TiO2 Catalyst
Published: 20 July 2019| Version 1 | DOI: 10.17632/x4wz7fbvdg.1
Contributor:
Zhi LiuDescription
The calculation details of the proposed surface states including the optimized results, ZPE correction and TS script for calculating Gibbs free energy.
Files
Categories
DFT Method Application