Catalytic oxidation performance of the α-Keggin-type vanadium-substituted heteropolymolybdates: A density functional theory study on [PVnMo12−nO40](3+n)− (n=0–3n=0–3)

J WANG; C HU; M JIAN; J ZHANG; G LI

doi:10.1016/j.jcat.2006.03.005

Catalytic oxidation performance of the α-Keggin-type vanadium-substituted heteropolymolybdates: A density functional theory study on [PVnMo12−nO40](3+n)− (n=0–3n=0–3)

Journal of Catalysis ◽

10.1016/j.jcat.2006.03.005 ◽

2006 ◽

Vol 240 (1) ◽

pp. 23-30 ◽

Cited By ~ 25

Author(s):

J WANG ◽

C HU ◽

M JIAN ◽

J ZHANG ◽

G LI

Keyword(s):

Density Functional Theory ◽

Catalytic Oxidation ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Keggin Type ◽

Oxidation Performance

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Reduction of NO to N2O Catalyzed by a Mn-Substituted Keggin-Type Polyoxometalate: A Density Functional Theory Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.7b01599 ◽

2017 ◽

Vol 121 (23) ◽

pp. 12735-12744 ◽

Cited By ~ 6

Author(s):

Meng-Xu Jiang ◽

Chun-Guang Liu

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Reduction Of No ◽

Keggin Type

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Density functional theory study of CO catalytic oxidation on Co2B2/TiO2 (110) surface

Journal of Natural Gas Chemistry ◽

10.1016/s1003-9953(09)60058-x ◽

2010 ◽

Vol 19 (3) ◽

pp. 300-306 ◽

Cited By ~ 3

Author(s):

Qingsong Zeng ◽

Wenkai Chen ◽

Yongfan Zhang ◽

Wenxin Dai ◽

Xin Guo

Keyword(s):

Density Functional Theory ◽

Catalytic Oxidation ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Co Catalytic Oxidation

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Density-functional theory study of the catalytic oxidation of CO over transition metal surfaces

Surface Science ◽

10.1016/s0039-6028(99)00531-2 ◽

1999 ◽

Vol 433-435 ◽

pp. 119-126 ◽

Cited By ~ 51

Author(s):

C Stampfl ◽

M Scheffler

Keyword(s):

Density Functional Theory ◽

Transition Metal ◽

Catalytic Oxidation ◽

Metal Surfaces ◽

Density Functional ◽

Density Functional Theory Study ◽

Oxidation Of Co ◽

Functional Theory ◽

Transition Metal Surfaces ◽

Catalytic Oxidation Of Co

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Density Functional Theory Study of the Formaldehyde Catalytic Oxidation Mechanism on a Au-Doped CeO2(111) Surface

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.7b09276 ◽

2017 ◽

Vol 122 (1) ◽

pp. 438-448 ◽

Cited By ~ 10

Author(s):

Meizan Jing ◽

Weiyu Song ◽

Lulu Chen ◽

Sicong Ma ◽

Jianlin Deng ◽

...

Keyword(s):

Density Functional Theory ◽

Catalytic Oxidation ◽

Density Functional ◽

Oxidation Mechanism ◽

Density Functional Theory Study ◽

Functional Theory ◽

Doped Ceo2

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Mechanism of the catalytic oxidation of methane on Pt(1 1 1) surfaces in moist environment: A density functional theory study

Applied Surface Science ◽

10.1016/j.apsusc.2018.12.055 ◽

2019 ◽

Vol 471 ◽

pp. 566-586 ◽

Cited By ~ 5

Author(s):

Ruirui Wang ◽

Junjie Chen ◽

Weilong Zhao ◽

Jing Wen ◽

Haixia Li ◽

...

Keyword(s):

Density Functional Theory ◽

Catalytic Oxidation ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Oxidation Of Methane ◽

Moist Environment

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Catalytic oxidation of CO by N2O on neutral Y2MO5 (M = Y, Al) clusters: a density functional theory study

RSC Advances ◽

10.1039/c5ra11695c ◽

2015 ◽

Vol 5 (93) ◽

pp. 76651-76659 ◽

Cited By ~ 8

Author(s):

Hong-Ling Fang ◽

Lei Xu ◽

Jia Li ◽

Bin Wang ◽

Yong-Fan Zhang ◽

...

Keyword(s):

Density Functional Theory ◽

Co Oxidation ◽

Catalytic Oxidation ◽

Density Functional ◽

Catalytic Cycle ◽

Current Work ◽

Density Functional Theory Study ◽

Oxidation Of Co ◽

Functional Theory ◽

Catalytic Oxidation Of Co

The full catalytic cycle of CO oxidation by N2O on neutral Y2MO5 (M = Y, Al) clusters has been studied in the current work.

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Methylene imino radical H2CN : matrix isolation ESR and density functional theory study

Molecular Physics ◽

10.1080/002689799165107 ◽

1999 ◽

Vol 96 (6) ◽

pp. 993-1000 ◽

Cited By ~ 2

Author(s):

PAUL H. KASAI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Matrix Isolation ◽

Density Functional Theory Study ◽

Functional Theory

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A Density Functional Theory Study of 2-Chlorothiophene Adsorption on Rh(111) Surface

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) ◽

10.3724/sp.j.1088.2010.90513 ◽

2010 ◽

Vol 31 (1) ◽

pp. 49-55

Author(s):

Zhanhong CHEN ◽

Kaining DING ◽

Xianglan XU ◽

Junqian LI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Density Functional Theory Study on the Relationship between Polymerization Activity and Substituent Electronic Effect of Polyolefin Catalysts

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) ◽

10.3724/sp.j.1088.2010.00126 ◽

2010 ◽

Vol 31 (9) ◽

pp. 1127-1131

Author(s):

Huayi LI ◽

Liaoyun ZHANG ◽

Youliang HU

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Electronic Effect ◽

Density Functional Theory Study ◽

Functional Theory ◽

The Relationship

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Density Functional Theory Study of the Gas Phase and Surface Reaction Kinetics for the MOVPE Growth of GaAs1–yBiy

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.9b10399 ◽

2020 ◽

Vol 124 (9) ◽

pp. 1682-1697

Author(s):

Ryan C. Lucas ◽

Dane Morgan ◽

Thomas F. Kuech

Keyword(s):

Density Functional Theory ◽

Reaction Kinetics ◽

Gas Phase ◽

Density Functional ◽

Surface Reaction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Movpe Growth ◽

Surface Reaction Kinetics

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Catalytic oxidation performance of the α-Keggin-type vanadium-substituted heteropolymolybdates: A density functional theory study on [PVnMo12−nO40](3+n)− (n=0–3n=0–3)

Reduction of NO to N2O Catalyzed by a Mn-Substituted Keggin-Type Polyoxometalate: A Density Functional Theory Study

Density functional theory study of CO catalytic oxidation on Co2B2/TiO2 (110) surface

Density-functional theory study of the catalytic oxidation of CO over transition metal surfaces

Density Functional Theory Study of the Formaldehyde Catalytic Oxidation Mechanism on a Au-Doped CeO2(111) Surface

Mechanism of the catalytic oxidation of methane on Pt(1 1 1) surfaces in moist environment: A density functional theory study

Catalytic oxidation of CO by N2O on neutral Y2MO5 (M = Y, Al) clusters: a density functional theory study

Methylene imino radical H2CN : matrix isolation ESR and density functional theory study

A Density Functional Theory Study of 2-Chlorothiophene Adsorption on Rh(111) Surface

Density Functional Theory Study on the Relationship between Polymerization Activity and Substituent Electronic Effect of Polyolefin Catalysts

Density Functional Theory Study of the Gas Phase and Surface Reaction Kinetics for the MOVPE Growth of GaAs1–yBiy

Mechanism of the catalytic oxidation of methane on Pt(1 1 1) surfaces in moist environment: A density functional theory study