Bridge Sulfur Vacancies in MoS2 Catalyst for Reverse Water Gas Shift: A First-Principles Study

2021 ◽  
pp. 149925
Author(s):  
Hai-Yan Su ◽  
Keju Sun ◽  
Jin-Xun Liu ◽  
Xiufang Ma ◽  
Minzhen Jian ◽  
...  
Keyword(s):  
First Principles ◽  
Water Gas Shift ◽  
First Principles Study ◽  
Reverse Water Gas Shift ◽  
Water Gas ◽  
Mos2 Catalyst

First-principles study on the mechanism of water-gas shift reaction on the Fe3O4 (111)-Fetet1

2021 ◽  
Vol 516 ◽  
pp. 111998
Author(s):  
Xiaoyan Liu ◽  
Zeyu Ma ◽  
Yu Meng ◽  
Ya-jun Ma ◽  
Xiao-dong Wen
Keyword(s):  
First Principles ◽  
Water Gas Shift ◽  
Water Gas Shift Reaction ◽  
First Principles Study ◽  
Shift Reaction ◽  
Water Gas

First-principles study of single transition metal atoms on ZnO for the water gas shift reaction

2017 ◽  
Vol 7 (19) ◽  
pp. 4294-4301 ◽  
Author(s):  
Xiang-Kui Gu ◽  
Chuan-Qi Huang ◽  
Wei-Xue Li
Keyword(s):  
Transition Metal ◽  
First Principles ◽  
Water Gas Shift ◽  
Water Gas Shift Reaction ◽  
First Principles Study ◽  
Metal Atoms ◽  
Transition Metal Atoms ◽  
Single Transition ◽  
Shift Reaction ◽  
Water Gas

A single Ni atom substituted on a ZnO surface is a promising catalyst for the water gas shift reaction.

scholarly journals Correction: First-principles study of single transition metal atoms on ZnO for the water gas shift reaction

2017 ◽  
Vol 7 (19) ◽  
pp. 4534-4534
Author(s):  
Xiang-Kui Gu ◽  
Chuan-Qi Huang ◽  
Wei-Xue Li
Keyword(s):  
Transition Metal ◽  
First Principles ◽  
Water Gas Shift ◽  
Water Gas Shift Reaction ◽  
First Principles Study ◽  
Metal Atoms ◽  
Transition Metal Atoms ◽  
Single Transition ◽  
Shift Reaction ◽  
Water Gas

Correction for ‘First-principles study of single transition metal atoms on ZnO for the water gas shift reaction’ by Xiang-Kui Gu et al., Catal. Sci. Technol., 2017, DOI: 10.1039/c7cy00704c.

New approaches for Mars in-situ resource utilization based on the reverse water gas shift

1997 ◽  
Author(s):  
Robert Zubrin ◽  
Mitchell Clapp ◽  
Tom Meyer ◽  
Robert Zubrin ◽  
Mitchell Clapp ◽  
...  
Keyword(s):  
Resource Utilization ◽  
Water Gas Shift ◽  
New Approaches ◽  
Reverse Water Gas Shift ◽  
Water Gas

scholarly journals Production of Fuels and Chemicals from a CO2/H2 Mixture

Reactions ◽  
2020 ◽  
Vol 1 (2) ◽  
pp. 130-146
Author(s):  
Yali Yao ◽  
Baraka Celestin Sempuga ◽  
Xinying Liu ◽  
Diane Hildebrandt
Keyword(s):  
Co2 Hydrogenation ◽  
Water Gas Shift ◽  
Liquid Fuels ◽  
Saturated Hydrocarbons ◽  
Reverse Water Gas Shift ◽  
Cu Catalyst ◽  
In Series ◽  
Fuels And Chemicals ◽  
Water Gas ◽  
Aspen Simulation

In order to explore co-production alternatives, a once-through process for CO2 hydrogenation to chemicals and liquid fuels was investigated experimentally. In this approach, two different catalysts were considered; the first was a Cu-based catalyst that hydrogenates CO2 to methanol and CO and the second a Fisher–Tropsch (FT) Co-based catalyst. The two catalysts were loaded into different reactors and were initially operated separately. The experimental results show that: (1) the Cu catalyst was very active in both the methanol synthesis and reverse-water gas shift (R-WGS) reactions and these two reactions were restricted by thermodynamic equilibrium; this was also supported by an Aspen plus simulation of an (equilibrium) Gibbs reactor. The Aspen simulation results also indicated that the reactor can be operated adiabatically under certain conditions, given that the methanol reaction is exothermic and R-WGS is endothermic. (2) the FT catalyst produced mainly CH4 and short chain saturated hydrocarbons when the feed was CO2/H2. When the two reactors were coupled in series and the presence of CO in the tail gas from the first reactor (loaded with Cu catalyst) significantly improves the FT product selectivity toward higher carbon hydrocarbons in the second reactor compared to the standalone FT reactor with only CO2/H2 in the feed.

scholarly journals Fast oxygen ion migration in Cu–In–oxide bulk and its utilization for effective CO2 conversion at lower temperature

2021 ◽  
Author(s):  
Jun-Ichiro Makiura ◽  
Takuma Higo ◽  
Yutaro Kurosawa ◽  
Kota Murakami ◽  
Shuhei Ogo ◽  
...  
Keyword(s):  
Low Temperature ◽  
Water Gas Shift ◽  
Chemical Looping ◽  
Co2 Conversion ◽  
Ion Migration ◽  
Oxygen Ion ◽  
Reverse Water Gas Shift ◽  
Oxygen Ion Migration ◽  
Lower Temperature ◽  
Water Gas

Efficient activation of CO2 at low temperature was achieved by reverse water–gas shift via chemical looping (RWGS-CL) by virtue of fast oxygen ion migration in a Cu–In structured oxide, even at lower temperatures.

Boosting reverse water-gas shift reaction activity of Pt nanoparticles through light doping of W

2021 ◽  
Author(s):  
Daiya Kobayashi ◽  
Hirokazu Kobayashi ◽  
Kohei Kusada ◽  
Tomokazu Yamamoto ◽  
Takaaki Toriyama ◽  
...  
Keyword(s):  
Pt Nanoparticles ◽  
Water Gas Shift ◽  
Solid Solution Alloy ◽  
Alloy Nanoparticles ◽  
Water Gas Shift Reaction ◽  
Reverse Water Gas Shift ◽  
Rwgs Reaction ◽  
Shift Reaction ◽  
Water Gas ◽  
First Time

We report PtW solid-solution alloy nanoparticles (NPs) as a reverse water-gas shift (RWGS) reaction catalyst for the first time. Atomic-level alloying of Pt and W significantly enhanced the RWGS reaction activity of Pt NPs.

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