A first-principles study on strain engineering of monolayer stanene for enhanced catalysis of CO2 reduction

Chemosphere ◽  
2021 ◽  
Vol 268 ◽  
pp. 129317
Author(s):  
Jing Yang ◽  
Kuan Eng Johnson Goh ◽  
Zhi Gen Yu ◽  
Rui En Wong ◽  
Yong-Wei Zhang
Keyword(s):  
First Principles ◽  
Co2 Reduction ◽  
Strain Engineering ◽  
First Principles Study

CO2 Reduction to CH4 on Cu-doped Phosphorene: A First-Principles Study

Nanoscale ◽  
2021 ◽  
Author(s):  
Hongping Zhang ◽  
Run Zhang ◽  
Chenghua Sun ◽  
Yan Jiao ◽  
Yaping Zhang
Keyword(s):  
Carbon Dioxide ◽  
Metal Atom ◽  
First Principles ◽  
Materials Science ◽  
2D Materials ◽  
Co2 Reduction ◽  
Carbon Dioxide Reduction ◽  
First Principles Study

Electrochemical carbon dioxide reduction (CRR) to fuels is one of the significant challenges in materials science and chemistry. Recently, single metal atom catalysts based on 2D materials provide a promising...

Selective bimetallic sites supported on graphene as a promising catalyst for CO2 Reduction: A first-principles study

2022 ◽  
pp. 152472
Author(s):  
Run Zhang ◽  
Yaping Zhang ◽  
Laibao Liu ◽  
Xiaopeng Li ◽  
Youhong Tang ◽  
...  
Keyword(s):  
First Principles ◽  
Co2 Reduction ◽  
First Principles Study

scholarly journals Strain engineering of antimonene by a first-principles study: Mechanical and electronic properties

2018 ◽  
Vol 98 (8) ◽  
Author(s):  
Devesh R. Kripalani ◽  
Andrey A. Kistanov ◽  
Yongqing Cai ◽  
Ming Xue ◽  
Kun Zhou
Keyword(s):  
Electronic Properties ◽  
First Principles ◽  
Strain Engineering ◽  
First Principles Study

Enhancing thermoelectric properties of monolayer GeSe via strain-engineering: A first principles study

2020 ◽  
Vol 521 ◽  
pp. 146256 ◽  
Author(s):  
Yu Li ◽  
Kuan Ma ◽  
Xing Fan ◽  
Fusheng Liu ◽  
Junqin Li ◽  
...  
Keyword(s):  
Thermoelectric Properties ◽  
First Principles ◽  
Strain Engineering ◽  
First Principles Study

Tunable oxygen vacancy configuration by strain engineering in perovskite ferroelectrics from first-principles study

2013 ◽  
Vol 103 (14) ◽  
pp. 142911 ◽  
Author(s):  
Q. Yang ◽  
J. X. Cao ◽  
Y. C. Zhou ◽  
Y. Zhang ◽  
Y. Ma ◽  
...  
Keyword(s):  
Oxygen Vacancy ◽  
First Principles ◽  
Strain Engineering ◽  
First Principles Study

scholarly journals Strain effects on phonon transport in antimonene investigated using a first-principles study

2017 ◽  
Vol 19 (22) ◽  
pp. 14520-14526 ◽  
Author(s):  
Ai-Xia Zhang ◽  
Jiang-Tao Liu ◽  
San-Dong Guo ◽  
Hui-Chao Li
Keyword(s):  
Thermoelectric Properties ◽  
First Principles ◽  
Strain Engineering ◽  
Phonon Transport ◽  
Strain Effects ◽  
First Principles Study ◽  
Properties Of Materials

Strain engineering is a very effective method to continuously tune the electronic, topological, optical and thermoelectric properties of materials.

Direct bandgap silicon through strain engineering of type-VIII silicon clathrate Si46: A first-principles study

2020 ◽  
Vol 250 ◽  
pp. 123021
Author(s):  
Nassim Ahmed Mahammedi ◽  
Hamza Gueffaf ◽  
Djellal Cherrad ◽  
Marhoun Ferhat ◽  
Mohammed Farouk Nakmouche
Keyword(s):  
First Principles ◽  
Strain Engineering ◽  
Direct Bandgap ◽  
Type Viii ◽  
First Principles Study ◽  
Silicon Clathrate
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