A First-Principles Microkinetic Model for Low-Temperature NH3 Assisted Selective Catalytic Reduction of NO over Cu-CHA
Journal article, 2021
First-principles microkinetic modeling
NH3-SCR
Entropy evaluation
N2O forma- tion
Cu-CHA
Author
Yingxin Feng
Chalmers, Physics, Chemical Physics
Xueting Wang
Chalmers, Chemistry and Chemical Engineering, Applied Chemistry
Ton V. W. Janssens
Peter N R Vennestrøm
Jonas Jansson
Magnus Skoglundh
Chalmers, Chemistry and Chemical Engineering, Applied Chemistry
Henrik Grönbeck
Chalmers, Physics, Chemical Physics
ACS Catalysis
21555435 (eISSN)
Vol. 11 23 14395-14407Subject Categories
Inorganic Chemistry
Theoretical Chemistry
Organic Chemistry
DOI
10.1021/acscatal.1c03973