Open AccessAchieving Theory–Experiment Parity for Activity and Selectivity in Heterogeneous Catalysis Using Microkinetic Modeling
Author(s) -
Wenping Xie,
Jiayan Xu,
Jianfu Chen,
Hai Feng Wang,
P. Hu
Publication year - 2022
Publication title -
accounts of chemical research
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 8.454
H-Index - 395
eISSN - 1520-4898
pISSN - 0001-4842
DOI - 10.1021/acs.accounts.2c00058
Subject(s) - chemistry , density functional theory , catalysis , selectivity , reaction rate , heterogeneous catalysis , computational chemistry , biochemical engineering , organic chemistry , engineering