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

2019-07-22T10:17:51Z (GMT) by Zhi Liu
The calculation details of the proposed surface states including the optimized results, ZPE correction and TS script for calculating Gibbs free energy.


CC BY 4.0