Insight into the mechanism for the methanol synthesis via the hydrogenation of CO2 over a Co-modified Cu(100) surface: A DFT study-Reference-Cited by-同舟云学术

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Insight into the mechanism for the methanol synthesis via the hydrogenation of CO2 over a Co-modified Cu(100) surface: A DFT study

Published:2016-10-07 Issue:13 Volume:145 Page:134701
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Qiu Mei¹,Tao Huilin¹,Li Rong¹,Li Yi¹²,Huang Xin¹²,Chen Wenkai¹,Su Wenyue¹³,Zhang Yongfan¹³

Affiliation:

1. College of Chemistry, Fuzhou University, Fuzhou, Fujian 350116, China

2. Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Xiamen, Fujian 361005, China

3. State Key Laboratory of Photocatalysis on Energy and Environment, Fuzhou, Fujian 350002, China

Funder

Independent Research Project of State Key Laboratory of Photocatalysis on Energy and Environment

National Natural Science Foundation of China (NSFC)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4963384

Reference71 articles.

1. Methanol Synthesis

2. Recent Advances in Catalysts for Methanol Synthesis via Hydrogenation of CO and CO2

3. Methanol synthesis on Cu(100) from a binary gas mixture of CO2 and H2

4. Synthesis of methanol from a mixture of H2 and CO2 on Cu(100)

5. Methanol Synthesis and Reverse Water–Gas Shift Kinetics over Cu(110) Model Catalysts: Structural Sensitivity

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1. DFT Study of Copper-Based Single-Atom Alloy for Conversion of Carbon Dioxide to Formic Acid;ACS Applied Nano Materials;2024-09-11

2. Mechanistic insight into the C1 product selectivity for the catalytic hydrogenation of CO2 over metal-doped graphene;Carbon Neutrality;2024-04-03

3. Mechanism of methanol synthesis from CO₂ on Cu/CeO₂ and Cu/W-CeO₂: a DFT investigation into the nature of W-doping;Journal of Materials Chemistry A;2024

4. Organic additive for the selective C₂-product formation on Cu(100): a density functional theory mechanistic study;Catalysis Science & Technology;2023

5. Correlation of photocatalytic CO2 conversion and electronic structure of UiO-66 and Cu-UiO-66-NH2 under irradiation studied by in-situ X-ray absorption spectroscopy;Journal of CO2 Utilization;2022-06

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