A DFT study of dimethyl carbonate synthesis from methanol and CO2 on zirconia: Effect of crystalline phases-Reference-Cited by-同舟云学术

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A DFT study of dimethyl carbonate synthesis from methanol and CO2 on zirconia: Effect of crystalline phases

Published:2019-03 Issue: Volume:159 Page:210-221
ISSN:0927-0256
Container-title:Computational Materials Science
language:en
Short-container-title:Computational Materials Science

Author:

Wang Xuhui,Zhao Jinxian,Sun Wei,Pei Yongli,An Jiangwei,Li Zhong,Ren Jun

Funder

National Natural Science Foundation of China

Key Research and Development Program of Shanxi Province

Publisher

Elsevier BV

Subject

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

Reference68 articles.

1. Heterogeneous catalytic conversion of CO2: a comprehensive theoretical review;Li;Nanoscale,2015

2. Direct synthesis of dimethyl carbonate from CO2 and methanol over CeO2 catalysts of different morphologies;Unnikrishnan;J. Chem. Sci.,2016

3. CO2 fixation into methanol at Cu/ZrO2 interface from first principles kinetic Monte Carlo;Tang;J. Catal.,2009

4. Catalysis science & technology elucidation of the high CO2 reduction selectivity of isolated Rh supported on TiO2: a DFT study;Ma;Catal. Sci. Technol.,2016

5. Recent advancements, fundamental challenges, and opportunities in catalytic methanation of CO2;Younas;Energy Fuels,2016

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1. Synthesis of dimethyl carbonate from CO2 and methanol over Zn modified CeO2 with 2-cyanopyridine: Theoretical calculation and experiment;Separation and Purification Technology;2024-07

2. Deciphering Local Structural Complexity in Zn/Ga-ZrO₂ CO₂ Hydrogenation Catalysts;The Journal of Physical Chemistry Letters;2024-04-18

3. A Review of Catalysts for Synthesis of Dimethyl Carbonate;Catalysts;2024-04-13

4. CO2 hydrogenation to methane over Ni/ZrO2 and Ni/CeO2 catalysts: experimental and DFT studies;Journal of Materials Science;2023-08

5. Performance and kinetic investigations on the CeO2 catalyzed direct synthesis of dimethyl carbonate from CO2 and methanol in dual supercritical conditions;Applied Catalysis A: General;2023-07

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