First-principles study of interaction between H2 molecules and BN nanotubes with BN divacancies

2007 ◽  
Vol 127 (16) ◽  
pp. 164718 ◽  
Author(s):  
Shuanglin Hu ◽  
Er-Jun Kan ◽  
Jinlong Yang
Keyword(s):  
First Principles ◽  
First Principles Study ◽  
Bn Nanotubes

scholarly journals First principles study on defectives BN nanotubes for water splitting and hydrogen storage

2016 ◽  
Vol 653 ◽  
pp. 161-166 ◽  
Author(s):  
Andressa C. Bevilacqua ◽  
Caroline J. Rupp ◽  
Rogério J. Baierle
Keyword(s):  
Hydrogen Storage ◽  
Water Splitting ◽  
First Principles ◽  
First Principles Study ◽  
Bn Nanotubes

First-principles study of small-radius single-walled BN nanotubes

2003 ◽  
Vol 68 (3) ◽  
Author(s):  
H.J. Xiang ◽  
Jinlong Yang ◽  
J.G. Hou ◽  
Qingshi Zhu
Keyword(s):  
First Principles ◽  
Small Radius ◽  
First Principles Study ◽  
Bn Nanotubes

A first-principles study of the adsorption behavior of CO on Al- and Ga-doped single-walled BN nanotubes

2013 ◽  
Vol 270 ◽  
pp. 25-32 ◽  
Author(s):  
Ali Ahmadi Peyghan ◽  
Alireza Soltani ◽  
Amin Allah Pahlevani ◽  
Yaser Kanani ◽  
Soheila Khajeh
Keyword(s):  
First Principles ◽  
Adsorption Behavior ◽  
First Principles Study ◽  
Bn Nanotubes

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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