First-principles study of some factors controlling the rate of ammonia decomposition on Ni and Pd surfaces

2005 ◽  
Vol 123 (20) ◽  
pp. 204716 ◽  
Author(s):  
Sergey Stolbov ◽  
Talat S. Rahman
Keyword(s):  
First Principles ◽  
Ammonia Decomposition ◽  
First Principles Study

Mechanism of Ammonia Decomposition and Oxidation on Ir(100): A First-Principles Study

2012 ◽  
Vol 116 (45) ◽  
pp. 24035-24045 ◽  
Author(s):  
Chao-zheng He ◽  
Hui Wang ◽  
Li-yuan Huai ◽  
Jing-yao Liu
Keyword(s):  
First Principles ◽  
Ammonia Decomposition ◽  
First Principles Study

scholarly journals Mechanism of ammonia decomposition and oxidation on Ir(110): A first-principles study

2013 ◽  
Vol 138 (14) ◽  
pp. 144703 ◽  
Author(s):  
Chao-Zheng He ◽  
Hui Wang ◽  
Li-Yuan Huai ◽  
Jing-Yao Liu
Keyword(s):  
First Principles ◽  
Ammonia Decomposition ◽  
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.

First-principles study of two-dimensional bilayer GaN: structure, electronic properties and temperature effect

2019 ◽  
Vol 58 (SC) ◽  
pp. SCCB35 ◽  
Author(s):  
Tomoe Yayama ◽  
Anh Khoa Augustin Lu ◽  
Tetsuya Morishita ◽  
Takeshi Nakanishi
Keyword(s):  
Temperature Effect ◽  
Electronic Properties ◽  
First Principles ◽  
Two Dimensional ◽  
First Principles Study
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