Mechanism of the Heterogeneous Reduction of NO on a Sodium-Doped Char Surface: A First-Principles Study

2021 ◽  
Author(s):  
Jiancheng Yang ◽  
Long Chen ◽  
Shilei Yuan ◽  
Mingtao Yang ◽  
Yuan Huang ◽  
...  
Keyword(s):  
First Principles ◽  
Reduction Of No ◽  
First Principles Study ◽  
Heterogeneous Reduction

Effect of Subsurface Oxygen on Selective Catalytic Reduction of NO by H2 on Pt(100): A First-Principles Study

2015 ◽  
Vol 119 (44) ◽  
pp. 24819-24826 ◽  
Author(s):  
Li-yuan Huai ◽  
Hui Wang ◽  
Chao-zheng He ◽  
Hong Wen ◽  
Wen-cai Yi ◽  
...  
Keyword(s):  
Selective Catalytic Reduction ◽  
First Principles ◽  
Catalytic Reduction ◽  
Reduction Of No ◽  
First Principles Study ◽  
Subsurface Oxygen

Reduction of NO with CO on the Co3O4(110)-B and CoO(110) Surfaces: A First-Principles Study

2018 ◽  
Vol 123 (3) ◽  
pp. 1770-1778 ◽  
Author(s):  
Xin Jin ◽  
Li-yuan Huai ◽  
Hong Wen ◽  
Wen-cai Yi ◽  
Jing-yao Liu
Keyword(s):  
First Principles ◽  
Reduction Of No ◽  
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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