2020 journal article

Identification of Efficient Single-Atom Catalysts Based on V2CO2 MXene by ab Initio Simulations

JOURNAL OF PHYSICAL CHEMISTRY C, 124(7), 4090–4100.

Source: Web Of Science
Added: March 16, 2020

The first-principles simulations are used to search and identify a potential candidate for the single-atom catalysts (SACs). By exploring the stability, clustering tendency, and catalytic activity ...