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

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...

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

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

2020 ◽  
Vol 22 (36) ◽  
pp. 20914-20921 ◽  
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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