Nickel/Molybdenum Bimetallic Alloy for Dry Reforming of Methane: A Coverage-Dependence Microkinetic Model Simulation Based on the First-Principles Calculation

2021 ◽  
Author(s):  
Wan-Ying Wang ◽  
Gui-Chang Wang
Keyword(s):  
First Principles ◽  
Model Simulation ◽  
Dry Reforming ◽  
First Principles Calculation ◽  
Dry Reforming Of Methane ◽  
Microkinetic Model ◽  
Coverage Dependence ◽  
Bimetallic Alloy ◽  
Simulation Based

scholarly journals An experimental and first principles DFT investigation on the effect of Cu addition to Ni/Al2O3 catalyst for the dry reforming of methane

2020 ◽  
Vol 602 ◽  
pp. 117699 ◽  
Author(s):  
Anjaneyulu Chatla ◽  
Minhaj M. Ghouri ◽  
Omar Wissam El Hassan ◽  
Nosaiba Mohamed ◽  
Anuj V. Prakash ◽  
...  
Keyword(s):  
First Principles ◽  
Dry Reforming ◽  
Dry Reforming Of Methane ◽  
Al2o3 Catalyst

scholarly journals Microkinetic model for the dry reforming of methane on Rh doped pyrochlore catalysts

2016 ◽  
Vol 340 ◽  
pp. 196-204 ◽  
Author(s):  
Felipe Polo-Garzon ◽  
Joseph K. Scott ◽  
David A. Bruce
Keyword(s):  
Dry Reforming ◽  
Dry Reforming Of Methane ◽  
Microkinetic Model

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 Correction: The first-principles-based microkinetic simulation of the dry reforming of methane over Ru(0001)

2022 ◽  
Author(s):  
Wan-Ying Wang ◽  
Gui-Chang Wang
Keyword(s):  
First Principles ◽  
Dry Reforming ◽  
Dry Reforming Of Methane

Correction for ‘The first-principles-based microkinetic simulation of the dry reforming of methane over Ru(0001)’ by Wan-Ying Wang et al., Catal. Sci. Technol., 2021, 11, 1395–1406, DOI: 10.1039/d0cy01942a

The first-principles-based microkinetic simulation of the dry reforming of methane over Ru(0001)

2021 ◽  
Author(s):  
Wan-Ying Wang ◽  
Gui-Chang Wang
Keyword(s):  
First Principles ◽  
Dry Reforming ◽  
Generation Rate ◽  
Dry Reforming Of Methane

As the temperature was increased, the generation rate of H2 and CO in the DRM reaction on Ru(0001) gradually increased along with the ratio of H2/CO generation rate.

FIRST PRINCIPLES CALCULATION OF THE PHONON SPECTRA OF SOLIDS

1981 ◽  
Vol 42 (C6) ◽  
pp. C6-625-C6-627 ◽  
Author(s):  
P. E. Van Camp ◽  
V. E. Van Doren ◽  
J. T. Devreese
Keyword(s):  
First Principles ◽  
First Principles Calculation ◽  
Phonon Spectra

Dry Reforming of Methane over Nanosized Tungsten Carbide Powders Obtained by Mechanochemical and Plasma-Mechanochemical Methods

2019 ◽  
Vol 59 (11) ◽  
pp. 1256-1263
Author(s):  
R. R. Grigoryan ◽  
S. G. Aloyan ◽  
V. R. Harutyunyan ◽  
S. D. Arsentev ◽  
L. A. Tavadyan
Keyword(s):  
Tungsten Carbide ◽  
Dry Reforming ◽  
Dry Reforming Of Methane
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