First-Principles Study of C–C Coupling Pathways for CO2 Electrochemical Reduction Catalyzed by Cu(110)

Tung-Chun Kuo; Jia-Wei Chou; Min-Hsiu Shen; Zih-Siang Hong; Tzu-Hsuan Chao; Qi Lu; Mu-Jeng Cheng

doi:10.1021/acs.jpcc.0c10736

First-Principles Study of C–C Coupling Pathways for CO2 Electrochemical Reduction Catalyzed by Cu(110)

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.0c10736 ◽

2021 ◽

Vol 125 (4) ◽

pp. 2464-2476

Author(s):

Tung-Chun Kuo ◽

Jia-Wei Chou ◽

Min-Hsiu Shen ◽

Zih-Siang Hong ◽

Tzu-Hsuan Chao ◽

...

Keyword(s):

Electrochemical Reduction ◽

First Principles ◽

First Principles Study

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Effect of 3d-transition metals doped in ZnO monolayers on the CO2 electrochemical reduction to valuable products: first principles study

Applied Surface Science ◽

10.1016/j.apsusc.2021.149380 ◽

2021 ◽

Vol 550 ◽

pp. 149380

Author(s):

Pornsawan Sikam ◽

Kaito Takahashi ◽

Thantip Roongcharoen ◽

Thanadol Jitwatanasirikul ◽

Chirawat Chitpakdee ◽

...

Keyword(s):

Transition Metals ◽

Electrochemical Reduction ◽

First Principles ◽

First Principles Study

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First-Principles Study on the Mechanical Properties of Polymers Formed by the Electrochemical Reduction of Fluoroethylene Carbonate and Vinylene Carbonate

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.0c04878 ◽

2020 ◽

Vol 124 (37) ◽

pp. 19937-19944

Author(s):

Yuki Kamikawa ◽

Kouji Amezawa ◽

Kenjiro Terada

Keyword(s):

Mechanical Properties ◽

Electrochemical Reduction ◽

First Principles ◽

Vinylene Carbonate ◽

First Principles Study ◽

Fluoroethylene Carbonate

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Two-Electron Electrochemical Reduction of CO2 on B-Doped Ni–N–C Catalysts: A First-Principles Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.1c04986 ◽

2021 ◽

Vol 125 (35) ◽

pp. 19247-19258

Author(s):

Arifin Luthfi Maulana ◽

Adhitya Gandaryus Saputro ◽

Yusuf Prasetyo ◽

Muhammad Haris Mahyuddin ◽

Muhammad Iqbal ◽

...

Keyword(s):

Electrochemical Reduction ◽

First Principles ◽

First Principles Study ◽

Reduction Of Co2

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Soft X-ray Spectroscopic Properties of Ruthenium Complex Catalyst under CO2 Electrochemical Reduction Conditions: A First-Principles Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.5b05626 ◽

2015 ◽

Vol 119 (40) ◽

pp. 22899-22907

Author(s):

Rocío Sánchez-de-Armas ◽

Barbara Brena ◽

Ivan Rivalta ◽

C. Moyses Araujo

Keyword(s):

Electrochemical Reduction ◽

First Principles ◽

Ruthenium Complex ◽

Spectroscopic Properties ◽

Complex Catalyst ◽

X Ray ◽

First Principles Study

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Electrochemical reduction of CO2 to CH4 over transition metal atom embedded antimonene: First-principles study

Journal of CO2 Utilization ◽

10.1016/j.jcou.2021.101645 ◽

2021 ◽

Vol 51 ◽

pp. 101645

Author(s):

Song Lu ◽

Huong Lan Huynh ◽

Fengliu Lou ◽

Min Guo ◽

Zhixin Yu

Keyword(s):

Transition Metal ◽

Electrochemical Reduction ◽

Metal Atom ◽

First Principles ◽

Transition Metal Atom ◽

First Principles Study ◽

Reduction Of Co2

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FIRST-PRINCIPLES STUDY OF MAGNETISM AND HALF-METALLIC PROPERTIES OF THE D0 QUATERNARY HEUSLER ALLOYS BANYO (Y = K, RB AND CS)

Письма в Журнал экспериментальной и теоретической физики ◽

10.31857/s123456782012006x ◽

2020 ◽

Vol 111 (11-12(6)) ◽

pp. 819-819

Author(s):

S. BENATMANE ◽

S. CHERID

Keyword(s):

First Principles ◽

Heusler Alloys ◽

Half Metallic ◽

First Principles Study ◽

Quaternary Heusler Alloys

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INSIGHT INTO STRUCTURAL, ELECTRONIC, MAGNETIC AND ELASTIC PROPERTIES OF FULL-HEUSLER ALLOYS CO2YPB (Y = TI, V, FE AND MO): A ﬁRST-PRINCIPLES STUDY

Письма в Журнал экспериментальной и теоретической физики ◽

10.31857/s123456782017005x ◽

2020 ◽

Vol 112 (5-6(9)) ◽

pp. 312-312

Author(s):

A. ZITOUNI ◽

G. REMIL ◽

B. BOUADJEMI ◽

W. BENSTAALI ◽

T. LANTRI ◽

...

Keyword(s):

Elastic Properties ◽

First Principles ◽

Heusler Alloys ◽

First Principles Study ◽

Full Heusler ◽

Full Heusler Alloys ◽

Insight Into

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First-Principles Study of Mn-rich Ni-Mn-Ga Alloys: Effect of Disorder on Martensitic Transformation

Shape Memory Alloys ◽

10.21741/9781644900017-22 ◽

2018 ◽

Keyword(s):

Martensitic Transformation ◽

First Principles ◽

First Principles Study ◽

Effect Of Disorder

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Strain tuned high thermal conductivity in boron phosphide at nanometer length scales – a first-principles study

Physical Chemistry Chemical Physics ◽

10.1039/d0cp03690k ◽

2020 ◽

Vol 22 (36) ◽

pp. 20914-20921 ◽

Cited By ~ 1

Author(s):

Rajmohan Muthaiah ◽

Jivtesh Garg

Keyword(s):

Thermal Conductivity ◽

First Principles ◽

High Thermal Conductivity ◽

Biaxial Strain ◽

Length Scales ◽

First Principles Study ◽

Boron Phosphide

We report novel pathways to significantly enhance the thermal conductivity at nanometer length scales in boron phosphide through biaxial strain.

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Adjustable electronic and optical properties of BlueP/MoS2 van der Waals heterostructure by external strain: a first-principles study

Nanotechnology ◽

10.1088/1361-6528/ab978b ◽

2020 ◽

Vol 31 (37) ◽

pp. 375706 ◽

Cited By ~ 1

Author(s):

Fei Yang ◽

Junnan Han ◽

Le Zhang ◽

Xianhong Tang ◽

Zhenguo Zhuo ◽

...

Keyword(s):

Optical Properties ◽

First Principles ◽

Van Der Waals ◽

Electronic And Optical Properties ◽

First Principles Study ◽

Van Der Waals Heterostructure ◽

External Strain

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