Interfacial stability, electronic property, and surface reactivity of α-MoO3/γ-Al2O3 composites: DFT and DFT + U calculations-Reference-Cited by-同舟云学术

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Interfacial stability, electronic property, and surface reactivity of α-MoO3/γ-Al2O3 composites: DFT and DFT + U calculations

Published:2018-10 Issue: Volume:153 Page:217-227
ISSN:0927-0256
Container-title:Computational Materials Science
language:en
Short-container-title:Computational Materials Science

Author:

Yu Mingyuan,Qu Wenwen^ORCID,Xu Shengming,Wang Lu,Liu Bingguo,Zhang Libo,Peng Jinhui

Funder

National Natural Science Foundation of China – Yunnan Joint Foundation of China

National Natural Science Foundation of China

Yunnan Applied Basic Research Project

Publisher

Elsevier BV

Subject

Computational Mathematics,General Physics and Astronomy,Mechanics of Materials,General Materials Science,General Chemistry,General Computer Science

Reference91 articles.

1. Investigations into the C-4 olefin metathesis over Mo/Al2O3: effects of support nature and pretreatment conditions on the product distribution;Zhang;Appl. Catal. A-Gen.,2014

2. Reactivities of various alkyl dibenzothiophenes in oxidative desulfurization of middle distillate with cumene hydroperoxide;Safa;Energy Fuels,2017

3. Optimization of the synthesis technique of molybdenum sulfide catalysts supported on titania for the hydrodesulfurization of thiophene;Platanitis;React. Kinet. Mech. Catal.,2017

4. A comparative study of CeO2-Al2O3 support prepared with different methods and its application on MoO3/CeO2-Al2O3 catalyst for sulfur-resistant methanation;Jiang;Appl. Surf. Sci.,2013

5. Structure and support effects on the selective oxidation of dimethyl ether to formaldehyde catalyzed by MoOx domains;Liu;J. Catal.,2003

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