Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 10(23), p. 6029-6041, 2021
DOI: 10.1039/d1cp00570g
Links
Tools
Ab initio screening of Pt-based transition-metal nanoalloys using descriptors derived from the adsorption and activation of CO<sub>2</sub>
This paper was not found in any repository, but could be made available legally by the author.
Full text: Unavailable
Published version:
archiving forbidden
Data provided by 
Abstract
We employ density functional theory calculations to discuss the roles of morphology, chemical ordering, and composition in the adsorption and activation of CO2 on unary and binary 55-atom transition-metal nanoclusters.