Mechanisms of the Water-Gas Shift Reaction Catalyzed by Ruthenium Pentacarbonyl: A Density Functional Theory Study

Hannes Schulz; Andreas Görling; Wolfgang Hieringer

doi:10.1021/ic301539q

Mechanisms of the Water-Gas Shift Reaction Catalyzed by Ruthenium Pentacarbonyl: A Density Functional Theory Study

Inorganic Chemistry ◽

10.1021/ic301539q ◽

2013 ◽

Vol 52 (9) ◽

pp. 4786-4794 ◽

Cited By ~ 21

Author(s):

Hannes Schulz ◽

Andreas Görling ◽

Wolfgang Hieringer

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Water Gas Shift ◽

Water Gas Shift Reaction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Shift Reaction ◽

Water Gas

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Mechanism of the Reverse Water–Gas Shift Reaction Catalyzed by Cu12TM Bimetallic Nanocluster: A Density Functional Theory Study

Journal of Cluster Science ◽

10.1007/s10876-018-1346-x ◽

2018 ◽

Vol 29 (5) ◽

pp. 867-877 ◽

Cited By ~ 5

Author(s):

Qian Zhang ◽

Ling Guo

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Water Gas Shift ◽

Water Gas Shift Reaction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Reverse Water Gas Shift ◽

Shift Reaction ◽

Water Gas

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A density functional theory study of the water–gas shift reaction promoted by Pt-based catalysts

Theoretical Chemistry Accounts ◽

10.1007/s00214-015-1624-8 ◽

2015 ◽

Vol 134 (2) ◽

Cited By ~ 5

Author(s):

Xin Lian ◽

Wenlong Guo ◽

Jiancheng Shu ◽

Xingran Zhang ◽

Zuohua Liu ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Water Gas Shift ◽

Water Gas Shift Reaction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Shift Reaction ◽

Water Gas

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A Density Functional Theory Study of the Water−Gas Shift Reaction Promoted by Neutral, Anionic, and Cationic Gold Dimers

The Journal of Physical Chemistry C ◽

10.1021/jp8108489 ◽

2009 ◽

Vol 113 (15) ◽

pp. 6215-6220 ◽

Cited By ~ 10

Author(s):

Yingying Wang ◽

Dongju Zhang ◽

Rongxiu Zhu ◽

Changqiao Zhang ◽

Chengbu Liu

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Water Gas Shift ◽

Water Gas Shift Reaction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Shift Reaction ◽

Water Gas ◽

Cationic Gold

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Mechanisms of the Water–Gas Shift Reaction Catalyzed by Carbonyl Complexes Mo(CO)6 and Mo2(CO)10: A Density Functional Theory Study

Journal of Cluster Science ◽

10.1007/s10876-017-1231-z ◽

2017 ◽

Vol 28 (5) ◽

pp. 2433-2448

Author(s):

Wenli Li ◽

Ling Guo ◽

Zhaoru Cao ◽

Naying Liu ◽

Xiaoli Zheng ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Water Gas Shift ◽

Carbonyl Complexes ◽

Water Gas Shift Reaction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Shift Reaction ◽

Water Gas

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Density functional theory study of water-gas shift reaction on TM@Cu12 core-shell nanoclusters

Protection of Metals and Physical Chemistry of Surfaces ◽

10.1134/s2070205116030187 ◽

2016 ◽

Vol 52 (3) ◽

pp. 387-398 ◽

Cited By ~ 3

Author(s):

Naying Liu ◽

Ling Guo ◽

Zhaoru Cao ◽

Aixia Li ◽

Xiaoyu An

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Water Gas Shift ◽

Core Shell ◽

Water Gas Shift Reaction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Shift Reaction ◽

Water Gas

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Mechanistic Aspects of the Water–Gas Shift Reaction on Isolated and Clustered Au Atoms on CeO2(110): A Density Functional Theory Study

ACS Catalysis ◽

10.1021/cs401206e ◽

2014 ◽

Vol 4 (6) ◽

pp. 1885-1892 ◽

Cited By ~ 76

Author(s):

Weiyu Song ◽

Emiel J. M. Hensen

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Water Gas Shift ◽

Water Gas Shift Reaction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Shift Reaction ◽

Water Gas

Download Full-text

Density Functional Theory Study of Water-Gas-Shift Reaction on 3Cu/α-Al2O3(0001) Surface

The Journal of Physical Chemistry C ◽

10.1021/jp312412b ◽

2013 ◽

Vol 117 (23) ◽

pp. 12045-12053 ◽

Cited By ~ 9

Author(s):

Hsin-Ni Chiang ◽

Jyh-Chiang Jiang

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Water Gas Shift ◽

Water Gas Shift Reaction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Α Al2o3 ◽

Shift Reaction ◽

Water Gas

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Water-gas shift reaction catalyzed by Au32M6 (M = Cu, Pt, Pd, Rh, Ir) core-shell nanoclusters: A density functional theory study

Molecular Catalysis ◽

10.1016/j.mcat.2019.110757 ◽

2020 ◽

Vol 483 ◽

pp. 110757 ◽

Cited By ~ 4

Author(s):

Lei Fang ◽

Tao Chen ◽

Yue Meng ◽

Ying Wang ◽

Jilong Xue ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Water Gas Shift ◽

Core Shell ◽

Water Gas Shift Reaction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Shift Reaction ◽

Water Gas

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Density functional theory study on water–gas-shift reaction over molybdenum disulfide

Applied Catalysis A General ◽

10.1016/j.apcata.2009.05.050 ◽

2009 ◽

Vol 365 (1) ◽

pp. 62-70 ◽

Cited By ~ 42

Author(s):

Xue-Rong Shi ◽

Sheng-Guang Wang ◽

Jia Hu ◽

Hui Wang ◽

Yan-Yan Chen ◽

...

Keyword(s):

Density Functional Theory ◽

Molybdenum Disulfide ◽

Density Functional ◽

Water Gas Shift ◽

Water Gas Shift Reaction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Shift Reaction ◽

Water Gas

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Density Functional Theory of Water−Gas Shift Reaction on Molybdenum Carbide

The Journal of Physical Chemistry B ◽

10.1021/jp053706u ◽

2005 ◽

Vol 109 (43) ◽

pp. 20415-20423 ◽

Cited By ~ 62

Author(s):

Hiroyuki Tominaga ◽

Masatoshi Nagai

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Molybdenum Carbide ◽

Water Gas Shift ◽

Water Gas Shift Reaction ◽

Functional Theory ◽

Shift Reaction ◽

Water Gas

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Mechanisms of the Water-Gas Shift Reaction Catalyzed by Ruthenium Pentacarbonyl: A Density Functional Theory Study

Mechanism of the Reverse Water–Gas Shift Reaction Catalyzed by Cu12TM Bimetallic Nanocluster: A Density Functional Theory Study

A density functional theory study of the water–gas shift reaction promoted by Pt-based catalysts

A Density Functional Theory Study of the Water−Gas Shift Reaction Promoted by Neutral, Anionic, and Cationic Gold Dimers

Mechanisms of the Water–Gas Shift Reaction Catalyzed by Carbonyl Complexes Mo(CO)6 and Mo2(CO)10: A Density Functional Theory Study

Density functional theory study of water-gas shift reaction on TM@Cu12 core-shell nanoclusters

Mechanistic Aspects of the Water–Gas Shift Reaction on Isolated and Clustered Au Atoms on CeO2(110): A Density Functional Theory Study

Density Functional Theory Study of Water-Gas-Shift Reaction on 3Cu/α-Al2O3(0001) Surface

Water-gas shift reaction catalyzed by Au32M6 (M = Cu, Pt, Pd, Rh, Ir) core-shell nanoclusters: A density functional theory study

Density functional theory study on water–gas-shift reaction over molybdenum disulfide

Density Functional Theory of Water−Gas Shift Reaction on Molybdenum Carbide

Water-gas shift reaction catalyzed by Au32M6 (M = Cu, Pt, Pd, Rh, Ir) core-shell nanoclusters: A density functional theory study