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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Density Functional Theory Study on Electronic and Magnetic Properties of Mn‐Doped (MgO)n (n=2–10) Clusters

Chinese Journal of Chemical Physics ◽

10.1063/1674-0068/26/01/35-42 ◽

2013 ◽

Vol 26 (1) ◽

pp. 35-42 ◽

Cited By ~ 10

Author(s):

Peng Wang ◽

Ming‐xia Yang ◽

Sheng‐li Zhang ◽

Shi‐ping Huang ◽

Hui‐ping Tian

Keyword(s):

Density Functional Theory ◽

Magnetic Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic And Magnetic Properties ◽

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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Effect of Mn-doped CaO on NO reduction by CO in carbonation stage of calcium looping: A density functional theory study

Journal of Environmental Chemical Engineering ◽

10.1016/j.jece.2021.106987 ◽

2021 ◽

pp. 106987

Author(s):

Shoubing Chai ◽

Yingjie Li ◽

Wan Zhang ◽

Yuzhuo Wang ◽

Liguo Yang ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

No Reduction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Calcium Looping ◽

No Reduction By Co ◽

Mn Doped

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Combination of Density Functional Theory and Microkinetic Study to the Mn-Doped CeO2 Catalysts for CO Oxidation: A Case Study to Understand the Doping Metal Content

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.8b05885 ◽

2018 ◽

Vol 122 (44) ◽

pp. 25290-25300 ◽

Cited By ~ 8

Author(s):

Weiyu Song ◽

Lulu Chen ◽

Jianlin Deng ◽

Meizan Jing ◽

Huiling Zheng ◽

...

Keyword(s):

Density Functional Theory ◽

Co Oxidation ◽

Metal Content ◽

Density Functional ◽

Functional Theory ◽

Doped Ceo2 ◽

Mn Doped

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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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Density functional theory study of CO2 reduction to CH3OH on the surfaces of metal (Cu, Ni, and Mn)-doped carbon nanotubes

Journal of Physics and Chemistry of Solids ◽

10.1016/j.jpcs.2021.110537 ◽

2021 ◽

pp. 110537

Author(s):

Xuefeng Xu ◽

Hao Yan ◽

Decai Dai ◽

Abdol Ghaffar Ebadi

Keyword(s):

Carbon Nanotubes ◽

Density Functional Theory ◽

Density Functional ◽

Co2 Reduction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Mn Doped

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Enhanced optical absorption in visible range in Mn doped AlP: A density functional theory study

Journal of Magnetism and Magnetic Materials ◽

10.1016/j.jmmm.2018.02.055 ◽

2018 ◽

Vol 457 ◽

pp. 13-16 ◽

Cited By ~ 3

Author(s):

Yu Chen ◽

Yongming Xing ◽

Aifeng Jiang ◽

Chengen Zhou ◽

Shufeng Lu

Keyword(s):

Density Functional Theory ◽

Optical Absorption ◽

Density Functional ◽

Visible Range ◽

Density Functional Theory Study ◽

Functional Theory ◽

Mn Doped

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Density Functional Theory Study of the Mechanism of Formaldehyde Oxidation on Mn-Doped Ceria

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.6b03218 ◽

2016 ◽

Vol 120 (24) ◽

pp. 13071-13077 ◽

Cited By ~ 23

Author(s):

Hairong Wu ◽

Sicong Ma ◽

Weiyu Song ◽

Emiel J. M. Hensen

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Doped Ceria ◽

Density Functional Theory Study ◽

Functional Theory ◽

Formaldehyde Oxidation ◽

Mn Doped

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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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