First-principles investigation of methanol synthesis from CO2 hydrogenation on Cu@Pd core–shell surface

2020 ◽  
Vol 56 (5) ◽  
pp. 3790-3803
Author(s):  
Jiangshan Liu ◽  
Qiang Ke ◽  
Xin Chen
Keyword(s):  
Methanol Synthesis ◽  
First Principles ◽  
Co2 Hydrogenation ◽  
Core Shell ◽  
Shell Surface

scholarly journals A promising low pressure methanol synthesis route from CO2 hydrogenation over Pd@Zn core–shell catalysts

2017 ◽  
Vol 19 (1) ◽  
pp. 270-280 ◽  
Author(s):  
Fenglin Liao ◽  
Xin-Ping Wu ◽  
Jianwei Zheng ◽  
Molly Meng-Jung Li ◽  
Anna Kroner ◽  
...  
Keyword(s):  
Methanol Synthesis ◽  
Low Pressure ◽  
Co2 Hydrogenation ◽  
Core Shell ◽  
Synthesis Route ◽  
Cu Catalysts

We report a new Pd@Zn core–shell catalyst that offers a significantly higher kinetic barrier to CO/H2O formation in CO2 hydrogenation but facilitates CH3OH production at below 2 MPa with CH3OH selectivity at 70% as compared to 10% over Cu catalysts.

scholarly journals Unravelling the mechanisms of CO2 hydrogenation to methanol on Cu-based catalysts using first-principles multiscale modelling and experiments

2017 ◽  
Vol 7 (24) ◽  
pp. 5900-5913 ◽  
Author(s):  
Matej Huš ◽  
Drejc Kopač ◽  
Neja Strah Štefančič ◽  
Damjan Lašič Jurković ◽  
Venkata D. B. C. Dasireddy ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Methanol Synthesis ◽  
First Principles ◽  
Co2 Hydrogenation ◽  
Multiscale Modelling ◽  
Multi Scale ◽  
Carbon Dioxide Hydrogenation ◽  
Scale Modelling

Multi-scale modelling of various copper-based catalysts showed how and why different catalysts perform in methanol synthesis via carbon dioxide hydrogenation.

Core–shell structured Cu@m-SiO2 and Cu/ZnO@m-SiO2 catalysts for methanol synthesis from CO2 hydrogenation

2016 ◽  
Vol 84 ◽  
pp. 56-60 ◽  
Author(s):  
Haiyan Yang ◽  
Peng Gao ◽  
Chen Zhang ◽  
Liangshu Zhong ◽  
Xiaopeng Li ◽  
...  
Keyword(s):  
Methanol Synthesis ◽  
Co2 Hydrogenation ◽  
Core Shell

Plasma-Catalytic Methanol Synthesis from CO2 Hydrogenation over a Supported Cu Cluster Catalyst: Insights into the Reaction Mechanism

ACS Catalysis ◽  
2022 ◽  
pp. 1326-1337
Author(s):  
Zhaolun Cui ◽  
Shengyan Meng ◽  
Yanhui Yi ◽  
Amin Jafarzadeh ◽  
Shangkun Li ◽  
...  
Keyword(s):  
Reaction Mechanism ◽  
Methanol Synthesis ◽  
Co2 Hydrogenation
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