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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Phenyl-Modified Carbon Nitride Quantum Nanoflakes for Ultra-Highly Selective Sensing of Formic Acid: A Combined Experimental by QCM and Density Functional Theory Study

ACS Applied Materials & Interfaces ◽

10.1021/acsami.1c12196 ◽

2021 ◽

Author(s):

Nagy L. Torad ◽

Hamza El-Hosainy ◽

Mohamed Esmat ◽

Khaled E. El-Kelany ◽

Rafat Tahawy ◽

...

Keyword(s):

Density Functional Theory ◽

Formic Acid ◽

Density Functional ◽

Carbon Nitride ◽

Density Functional Theory Study ◽

Functional Theory

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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 ◽

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Electric and structural properties of polymeric graphite carbon nitride (g-C3N4): A Density Functional Theory study

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2016.11.004 ◽

2016 ◽

Vol 1098 ◽

pp. 41-49 ◽

Author(s):

Alexander M. Silva ◽

Mariana I. Rojas

Keyword(s):

Density Functional Theory ◽

Structural Properties ◽

Density Functional ◽

Carbon Nitride ◽

Density Functional Theory Study ◽

Functional Theory

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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 ◽

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Density Functional Theory Study of Single-Atom V, Nb, and Ta Catalysts on Graphene and Carbon Nitride for Selective Nitrogen Reduction

ACS Applied Nano Materials ◽

10.1021/acsanm.0c00512 ◽

2020 ◽

Vol 3 (6) ◽

pp. 5149-5159 ◽

Author(s):

Chunjin Ren ◽

Qianyu Jiang ◽

Wei Lin ◽

Yongfan Zhang ◽

Shuping Huang ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Carbon Nitride ◽

Single Atom ◽

Density Functional Theory Study ◽

Functional Theory ◽

Nitrogen Reduction

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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 ◽

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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Functionalized carbon nitride (g-CN) monolayer as a promising energy storage material: A density functional theory study

Applied Surface Science ◽

10.1016/j.apsusc.2017.05.119 ◽

2017 ◽

Vol 419 ◽

pp. 708-712 ◽

Author(s):

T. Hussain ◽

T. Kaewmaraya ◽

M. Hankel ◽

V. Amornkitbamrung

Keyword(s):

Density Functional Theory ◽

Energy Storage ◽

Density Functional ◽

Carbon Nitride ◽

Density Functional Theory Study ◽

Storage Material ◽

Functional Theory ◽

Energy Storage Material

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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 ◽

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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 ◽

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 ◽

Author(s):

PAUL H. KASAI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Matrix Isolation ◽

Density Functional Theory Study ◽

Functional Theory

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