A synergetic effect between a single Cu site and S vacancy on an MoS2 basal plane for methanol synthesis from syngas

2021 ◽  
Author(s):  
Hai-Yan Su ◽  
Xiufang Ma ◽  
Chenghua Sun ◽  
Keju Sun
Keyword(s):  
Methanol Synthesis ◽  
Basal Plane ◽  
Co Hydrogenation ◽  
Synergetic Effect ◽  
Hydrogenation Rate

Compared to MoS2(001), the synergetic effect between the single Cu site and S vacancy on Cu/MoS2(001) destabilizes O, which not only increases the CO hydrogenation rate by 5 orders of magnitude, but leads to the selectivity switch from CH4 to CH3OH.

Density Functional Study of Methanol Synthesis from CO Hydrogenation on Cu-Based Catalysts

2021 ◽  
Vol 10 (1) ◽  
pp. 20200051
Author(s):  
Zhenguo Xia ◽  
Xiaochen Duan ◽  
Yan Yao ◽  
Geng Chen ◽  
Yingying Zhu
Keyword(s):  
Methanol Synthesis ◽  
Density Functional ◽  
Co Hydrogenation ◽  
Functional Study ◽  
Density Functional Study

scholarly journals Theoretical study of methanol synthesis from CO2 and CO hydrogenation on the surface of ZrO2 supported In2O3 catalyst

2018 ◽  
Vol 672-673 ◽  
pp. 7-12 ◽  
Author(s):  
Maobin Dou ◽  
Minhua Zhang ◽  
Yifei Chen ◽  
Yingzhe Yu
Keyword(s):  
Methanol Synthesis ◽  
Co Hydrogenation ◽  
Theoretical Study

DFT study of In2O3-catalyzed methanol synthesis from CO2 and CO hydrogenation on the defective site

2018 ◽  
Vol 42 (5) ◽  
pp. 3293-3300 ◽  
Author(s):  
Maobin Dou ◽  
Minhua Zhang ◽  
Yifei Chen ◽  
Yingzhe Yu
Keyword(s):  
Methanol Synthesis ◽  
Co Hydrogenation ◽  
Dft Study

The activity of CO hydrogenation is higher than that of CO2 hydrogenation on the defective In2O3 surface.

Modified Cuo/ZnO/Al2O3 Catalysts for Methanol Synthesis from Co and CO2 Co-Hydrogenation

2013 ◽  
Vol 690-693 ◽  
pp. 1529-1534
Author(s):  
Wen Gui Gao ◽  
Hua Wang ◽  
Wen Yan Liu ◽  
Feng Jie Zhang
Keyword(s):  
Methanol Synthesis ◽  
Active Sites ◽  
Co Hydrogenation ◽  
Fixed Bed ◽  
Fixed Bed Reactor ◽  
Total Carbon ◽  
X Ray Diffraction ◽  
Wet Impregnation ◽  
Temperature Programmed ◽  
Co Precipitation

A series of CuO-ZnO-Al2O3catalysts modified by different promoter were prepared by co-precipitation or incipient wet impregnation and characterized by X-ray diffraction (XRD), N2physisorption, hydrogen temperature-programmed reduction (H2-TPR) and carbon dioxide temperature-programmed desorption (CO2-TPD). The modified catalysts were tested for methanol synthesis from CO/CO2co-hydrogenation in a fixed bed reactor with feed containing CO, CO2and H2(CO:CO2:H2=1.0:1.08:6.24, volume radio). It is revealed that the catalysts modified by Zr, Mg, Ca has higher activity of methanol synthesis by CO and CO2co-hydrogenation. Especially, the addition of Zr enhances the conversion of total carbon and the selectivity of methanol, which is due to the improved surface area, much more active sites, and the synergistically interaction between CuO and ZnO caused by the addition of Zr promoter.

Mechanism of Methanol Synthesis on Cu through CO2 and CO Hydrogenation

ACS Catalysis ◽  
2011 ◽  
Vol 1 (4) ◽  
pp. 365-384 ◽  
Author(s):  
L. C. Grabow ◽  
M. Mavrikakis
Keyword(s):  
Methanol Synthesis ◽  
Co Hydrogenation

Mechanism of Methanol Synthesis on Ni(110)

2021 ◽  
Author(s):  
Guowen Peng ◽  
Lang Xu ◽  
Vanda Glezakou ◽  
Manos Mavrikakis
Keyword(s):  
Density Functional Theory ◽  
Methanol Synthesis ◽  
Density Functional ◽  
Co Hydrogenation ◽  
Water Gas Shift ◽  
Side Reactions ◽  
Functional Theory ◽  
Water Gas

Planewave density functional theory (DFT-PW91) calculations are employed to study the methanol synthesis through CO2 and CO hydrogenation, as well as the two side reactions: the water gas shift (WGS)...

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