Acetylene adsorption on delta-MoC(001), TiC(001) and ZrC(001) surfaces: a comprehensive periodic DFT study

Jimenez-Orozco, C; Florez, E; Moreno, A; Liu, P; Rodriguez, JA

Rodriguez, JA (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017; 19 (2): 1571

Abstract

A comprehensive study of acetylene adsorption on delta-MoC(001), TiC(001) and ZrC(001) surfaces was carried out by means of calculations based on peri......

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