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

Meizan Jing; Weiyu Song; Lulu Chen; Sicong Ma; Jianlin Deng; Huiling Zheng; Yongfeng Li; Jian Liu; Zhen Zhao

doi:10.1021/acs.jpcc.7b09276

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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Density functional theory study of water interactions on Mn-doped CeO2(111) surface

Applied Surface Science ◽

10.1016/j.apsusc.2014.06.076 ◽

2014 ◽

Vol 313 ◽

pp. 784-793 ◽

Cited By ~ 8

Author(s):

Delfina García Pintos ◽

Alfredo Juan ◽

Beatriz Irigoyen

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Doped Ceo2 ◽

Mn Doped

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Manganese-Doped CeO2 Nanocubes for Catalytic Combustion of Chlorobenzene: An Experimental and Density Functional Theory Study

Journal of Nanoscience and Nanotechnology ◽

10.1166/jnn.2018.14660 ◽

2018 ◽

Vol 18 (5) ◽

pp. 3348-3355 ◽

Cited By ~ 4

Author(s):

Pei Zhao ◽

Zhansheng Lu ◽

Shantang Liu

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Catalytic Combustion ◽

Density Functional Theory Study ◽

Functional Theory ◽

Doped Ceo2

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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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Atmospheric Oxidation Mechanism ofp-Xylene: A Density Functional Theory Study

The Journal of Physical Chemistry A ◽

10.1021/jp061735e ◽

2006 ◽

Vol 110 (24) ◽

pp. 7728-7737 ◽

Cited By ~ 33

Author(s):

Jiwen Fan ◽

Renyi Zhang

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Oxidation Mechanism ◽

Atmospheric Oxidation ◽

Density Functional Theory Study ◽

Functional Theory

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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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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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Density Functional Theory Study of the Oxygen Chemistry and NO Oxidation Mechanism on Low-Index Surfaces of SmMn2O5 Mullite

ACS Catalysis ◽

10.1021/acscatal.5b00249 ◽

2015 ◽

Vol 5 (8) ◽

pp. 4913-4926 ◽

Cited By ~ 34

Author(s):

Zhengzheng Chen ◽

Xiao Liu ◽

Kyeongjae Cho ◽

Rong Chen ◽

Bin Shan

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Oxidation Mechanism ◽

No Oxidation ◽

Density Functional Theory Study ◽

Functional Theory

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Understanding the carbon-monoxide oxidation mechanism on ultrathin palladium nanowires: a density functional theory study

Nanoscale ◽

10.1039/c5nr07323e ◽

2016 ◽

Vol 8 (4) ◽

pp. 2041-2045 ◽

Cited By ~ 9

Author(s):

Po-Yu Yang ◽

Shin-Pon Ju ◽

Zhu-Min Lai ◽

Jenn-Sen Lin ◽

Jin-Yuan Hsieh

Keyword(s):

Density Functional Theory ◽

Carbon Monoxide ◽

Co Oxidation ◽

Density Functional ◽

Dft Calculation ◽

Oxidation Mechanism ◽

Density Functional Theory Study ◽

Functional Theory ◽

Palladium Nanowires ◽

Co Oxidation Mechanism

The CO oxidation mechanism catalyzed by ultrathin helical palladium nanowires (PdNW) was investigated by density functional theory (DFT) calculation.

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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)

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

Density functional theory study of water interactions on Mn-doped CeO2(111) surface

Manganese-Doped CeO2 Nanocubes for Catalytic Combustion of Chlorobenzene: An Experimental and Density Functional Theory Study

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

Atmospheric Oxidation Mechanism ofp-Xylene: A Density Functional Theory Study

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

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

Density Functional Theory Study of the Oxygen Chemistry and NO Oxidation Mechanism on Low-Index Surfaces of SmMn2O5 Mullite

Understanding the carbon-monoxide oxidation mechanism on ultrathin palladium nanowires: a density functional theory study

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)

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

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