Mechanistic study of ethanol steam reforming on TM–Mo6S8 clusters: a DFT study
Author:
Affiliation:
1. Key Laboratory of Magnetic Molecules & Magnetic Information Materials of Ministry of Education
2. Shanxi Normal University
3. Linfen
4. China
5. The School of Chemical and Materials Science
Abstract
The mechanism of ethanol steam reforming (ESR) on TM–Mo6S8 (TM = Pt, Pd) clusters is systematically investigated using a combination of the microscopic kinetic model, energetic span model (ESM) and d-band model under density functional theory (DFT) calculations.
Funder
Shanxi Normal University
Publisher
Royal Society of Chemistry (RSC)
Subject
Catalysis
Link
http://pubs.rsc.org/en/content/articlepdf/2019/CY/C8CY02151A
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