Design of Single Atom Catalysts

Yu, ZR; Xu, HX; Cheng, DJ

Xu, HX; Cheng, DJ (corresponding author), Beijing Univ Chem Technol, State Key Lab Organ Inorgan Composites, Beijing 100029, Peoples R China.

ADVANCES IN PHYSICS-X, 2021; 6 (1):

Abstract

Over the past decade, computational modeling based on density functional theory (DFT) calculations provides a deep insight into the catalytic mechanis......

Full Text Link