DFT investigation of Au n Mo ( n = 2–12) clusters: the barrierless hydrogen adsorption behavior of Au 9 Mo

Physical Chemistry Chemical Physics 2026

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Authors: Ngo Thi Lan, Nguyen Van Dang, Nguyễn Thị Mai, Son Tung Ngo, Nguyen Thanh Tung
DOI: 10.1039/d5cp04022a
Cited by: 0
References: 44

Abstract

Reaction pathway and relative energies (eV) for H 2 dissociative adsorption on Au 9 Mo, with transition and intermediate states as TS i and I i . A submerged barrier of 0.04 eV is required for dissociation process.

Fields of Study & Subjects

Catalytic Processes in Materials Science Advanced Chemical Physics Studies Electrocatalysts for Energy Conversion

Publication details

Journal / source
Physical Chemistry Chemical Physics
Volume
28
Issue
5
Pages
3389–3400
Publication date
1 January 2026
Language
EN