Facet-dependent electrocatalysis in the HCOOH synthesis from CO2 reduction on Cu catalyst: a density functional theory study

Applied Surface Science ◽

10.1016/j.apsusc.2020.146857 ◽

2020 ◽

Vol 527 ◽

pp. 146857

Author(s):

Deok Yeon Jo ◽

Hyung Chul Ham ◽

Kwan-Young Lee

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Co2 Reduction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Cu Catalyst

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Transition metal-doped tetra-MoN2 monolayers as an electrochemical catalyst for CO2 reduction: A density functional theory study

Catalysis Communications ◽

10.1016/j.catcom.2020.106212 ◽

2021 ◽

Vol 149 ◽

pp. 106212

Author(s):

Xuejing Yang ◽

Xuejian Xu ◽

Xiuli Hou ◽

Peng Zhang ◽

Jianli Mi ◽

...

Keyword(s):

Density Functional Theory ◽

Transition Metal ◽

Density Functional ◽

Co2 Reduction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electrochemical Catalyst ◽

Metal Doped

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Towards developing efficient aminopyridine-based electrochemical catalysts for CO2 reduction. A density functional theory study

Journal of Catalysis ◽

10.1016/j.jcat.2019.03.018 ◽

2019 ◽

Vol 373 ◽

pp. 75-80 ◽

Cited By ~ 3

Author(s):

Chiming Wang ◽

Xin Chen ◽

Houhe Pan ◽

Dongdong Qi ◽

Jianzhuang Jiang

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Co2 Reduction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electrochemical Catalysts

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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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Density functional theory study on a nitrogen-rich carbon nitride material C3N5 as photocatalyst for CO2 reduction to C1 and C2 products

Journal of Colloid and Interface Science ◽

10.1016/j.jcis.2020.10.054 ◽

2021 ◽

Vol 585 ◽

pp. 740-749

Author(s):

Yuelin Wang ◽

Thanh Ngoc Pham ◽

Yu Tian ◽

Yoshitada Morikawa ◽

Likai Yan

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Carbon Nitride ◽

Co2 Reduction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Nitride Material

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Reaction Mechanisms of CO2 Reduction to Formaldehyde Catalyzed by Hourglass Ru, Fe, and Os Complexes: A Density Functional Theory Study

Catalysts ◽

10.3390/catal7010005 ◽

2016 ◽

Vol 7 (12) ◽

pp. 5 ◽

Cited By ~ 7

Author(s):

Chunhua Dong ◽

Mingsong Ji ◽

Xinzheng Yang ◽

Jiannian Yao ◽

Hui Chen

Keyword(s):

Density Functional Theory ◽

Reaction Mechanisms ◽

Density Functional ◽

Co2 Reduction ◽

Density Functional Theory Study ◽

Functional Theory

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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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Structural Stability of Ruthenium Nanoparticles: A Density Functional Theory Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.7b08672 ◽

2017 ◽

Vol 121 (49) ◽

pp. 27445-27452 ◽

Cited By ~ 21

Author(s):

Yusuke Nanba ◽

Takayoshi Ishimoto ◽

Michihisa Koyama

Keyword(s):

Density Functional Theory ◽

Structural Stability ◽

Density Functional ◽

Density Functional Theory Study ◽

Ruthenium Nanoparticles ◽

Functional Theory

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