First-principles theoretical study on dry reforming of methane over perfect and boron-vacancy-containing h-BN sheet-supported Ni catalysts

2021 ◽  
Vol 23 (1) ◽  
pp. 617-627
Author(s):  
Yan Zhang ◽  
Yi-Fan Yao ◽  
Yuan-Yuan Qiao ◽  
Gui-Chang Wang
Keyword(s):  
First Principles ◽  
Density Functional ◽  
Theoretical Study ◽  
Density Functional Theory Calculations ◽  
Dry Reforming ◽  
Dry Reforming Of Methane ◽  
Ni Catalysts ◽  
Functional Theory ◽  
Supported Ni Catalysts ◽  
Supported Ni

The entire reaction mechanism of the dry reforming of methane (DRM) as well as the competition processes over perfect and boron-vacancy-containing h-BN sheet-supported Ni-catalysts (labeled Ni2/h-BN and Ni2/h-BN-B–D) was studied by density functional theory calculations in the present work.

scholarly journals Stabilities of zeolite-supported Ni catalysts for dry reforming of methane

2013 ◽  
Vol 34 (4) ◽  
pp. 764-768 ◽  
Author(s):  
Anis H FAKEEHA ◽  
Wasim U. KHAN ◽  
Ahmed S. AL-FATESH ◽  
Ahmed E. ABASAEED
Keyword(s):  
Dry Reforming ◽  
Dry Reforming Of Methane ◽  
Ni Catalysts ◽  
Supported Ni Catalysts ◽  
Supported Ni

scholarly journals Morphology effect of zirconia support on the catalytic performance of supported Ni catalysts for dry reforming of methane

2016 ◽  
Vol 37 (12) ◽  
pp. 2122-2133 ◽  
Author(s):  
Weizuo Li ◽  
Zhongkui Zhao ◽  
Yanhua Jiao ◽  
Guiru Wang
Keyword(s):  
Catalytic Performance ◽  
Dry Reforming ◽  
Dry Reforming Of Methane ◽  
Ni Catalysts ◽  
Morphology Effect ◽  
Zirconia Support ◽  
Supported Ni Catalysts ◽  
Supported Ni

Modulating morphology and textural properties of ZrO2 for supported Ni catalysts toward dry reforming of methane

AIChE Journal ◽  
2017 ◽  
Vol 63 (7) ◽  
pp. 2900-2915 ◽  
Author(s):  
Weizuo Li ◽  
Zhongkui Zhao ◽  
Guiru Wang
Keyword(s):  
Textural Properties ◽  
Dry Reforming ◽  
Dry Reforming Of Methane ◽  
Ni Catalysts ◽  
Supported Ni Catalysts ◽  
Supported Ni

Catalytic test of supported Ni catalysts with core/shell structure for dry reforming of methane

2011 ◽  
Vol 92 (6) ◽  
pp. 1236-1243 ◽  
Author(s):  
Ki-Moon Kang ◽  
Hyo-Won Kim ◽  
Il-Wun Shim ◽  
Ho-Young Kwak
Keyword(s):  
Shell Structure ◽  
Dry Reforming ◽  
Dry Reforming Of Methane ◽  
Core Shell ◽  
Ni Catalysts ◽  
Core Shell Structure ◽  
Supported Ni Catalysts ◽  
Supported Ni ◽  
Catalytic Test

Effect of Manganese and zeolite composition on zeolite-supported Ni-catalysts for dry reforming of methane

2020 ◽  
Author(s):  
Aaron J. Najfach ◽  
Catherine B. Almquist ◽  
Richard E. Edelmann
Keyword(s):  
Dry Reforming ◽  
Dry Reforming Of Methane ◽  
Ni Catalysts ◽  
Supported Ni Catalysts ◽  
Supported Ni

High performance of Mg–La mixed oxides supported Ni catalysts for dry reforming of methane: The effect of crystal structure

2013 ◽  
Vol 38 (31) ◽  
pp. 13631-13642 ◽  
Author(s):  
Jun Ni ◽  
Luwei Chen ◽  
Jianyi Lin ◽  
Martin Karl Schreyer ◽  
Zhan Wang ◽  
...  
Keyword(s):  
Crystal Structure ◽  
High Performance ◽  
Mixed Oxides ◽  
Dry Reforming ◽  
Dry Reforming Of Methane ◽  
Ni Catalysts ◽  
Supported Ni Catalysts ◽  
Supported Ni

scholarly journals High performance and stable mesoporous MgO–ZrO2 supported Ni catalysts for dry reforming of methane

2021 ◽  
pp. 100183
Author(s):  
Xinghua Huang ◽  
Yijun Ji ◽  
Tong Wei ◽  
Lichao Jia ◽  
Dong Yan ◽  
...  
Keyword(s):  
High Performance ◽  
Dry Reforming ◽  
Dry Reforming Of Methane ◽  
Ni Catalysts ◽  
Supported Ni Catalysts ◽  
Supported Ni

Employing a Nickel-Containing Supramolecular Framework as Ni Precursor for Synthesizing Robust Supported Ni Catalysts for Dry Reforming of Methane

ChemCatChem ◽  
2016 ◽  
Vol 8 (18) ◽  
pp. 2939-2952 ◽  
Author(s):  
Weizuo Li ◽  
Zhongkui Zhao ◽  
Xinwen Guo ◽  
Guiru Wang
Keyword(s):  
Dry Reforming ◽  
Dry Reforming Of Methane ◽  
Supramolecular Framework ◽  
Ni Catalysts ◽  
Supported Ni Catalysts ◽  
Supported Ni

Understanding the advantage of hexagonal WO3 as an efficient photoanode for solar water splitting: a first-principles perspective

2016 ◽  
Vol 4 (29) ◽  
pp. 11498-11506 ◽  
Author(s):  
Taehun Lee ◽  
Yonghyuk Lee ◽  
Woosun Jang ◽  
Aloysius Soon
Keyword(s):  
Density Functional Theory ◽  
Band Gap ◽  
Water Splitting ◽  
Anode Material ◽  
First Principles ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Good Alternative ◽  
Functional Theory ◽  
Solar Water Splitting

Using first-principles density-functional theory calculations, we investigate the advantage of using h-WO3 (and its surfaces) over the larger band gap γ-WO3 phase for the anode in water splitting. We demonstrate that h-WO3 is a good alternative anode material for optimal water splitting efficiencies.

Probing the electronic structures of Con (n = 1–5) clusters on γ-Al2O3 surfaces using first-principles calculations

2017 ◽  
Vol 19 (5) ◽  
pp. 3679-3687 ◽  
Author(s):  
Tao Yang ◽  
Masahiro Ehara
Keyword(s):  
Density Functional Theory ◽  
First Principles ◽  
Electronic Structures ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
First Principles Calculations ◽  
Functional Theory

Using density functional theory calculations, we discussed the geometric and electronic structures and nucleation of small Co clusters on γ-Al2O3(100) and γ-Al2O3(110) surfaces.

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