First principles DFT investigation of yttrium-decorated boron-nitride nanotube: Electronic structure and hydrogen storage

Mapping Intimacies ◽

10.1063/1.4917756 ◽

2015 ◽

Cited By ~ 1

Author(s):

Richa Naja Jain ◽

Brahmananda Chakraborty ◽

Lavanya M. Ramaniah

Keyword(s):

Electronic Structure ◽

Boron Nitride ◽

Hydrogen Storage ◽

First Principles ◽

Boron Nitride Nanotube

Download Full-text

Electronic structure and optical properties of boron nitride nanotube bundles from first principles

Superlattices and Microstructures ◽

10.1016/j.spmi.2015.02.012 ◽

2015 ◽

Vol 82 ◽

pp. 630-638 ◽

Cited By ~ 5

Author(s):

Somayeh Behzad

Keyword(s):

Optical Properties ◽

Electronic Structure ◽

Boron Nitride ◽

First Principles ◽

Boron Nitride Nanotube ◽

Nanotube Bundles

Download Full-text

Calcium decoration of boron nitride nanotubes with vacancy defects as potential hydrogen storage materials: A first-principles investigation

Materials Today Communications ◽

10.1016/j.mtcomm.2020.101985 ◽

2021 ◽

Vol 26 ◽

pp. 101985

Author(s):

Liang-Cai Ma ◽

Ya-Ru Sun ◽

Li-Chun Wang ◽

Ling Ma ◽

Jian-Min Zhang

Keyword(s):

Boron Nitride ◽

Hydrogen Storage ◽

First Principles ◽

Boron Nitride Nanotubes ◽

Hydrogen Storage Materials ◽

Vacancy Defects ◽

Storage Materials

Download Full-text

First principles DFT investigation of yttrium-doped graphene: Electronic structure and hydrogen storage

10.1063/1.4873109 ◽

2014 ◽

Cited By ~ 1

Author(s):

Sameerah Desnavi ◽

Brahmananda Chakraborty ◽

Lavanya M. Ramaniah

Keyword(s):

Electronic Structure ◽

Hydrogen Storage ◽

First Principles ◽

Doped Graphene

Download Full-text

First-principles Study of Field Emissions from Natrium-Encapsulated Boron-Nitride Nanotube in a Perpendicular Geometry

Chinese Journal of Chemical Physics ◽

10.1088/1674-0068/23/05/553-557 ◽

2010 ◽

Vol 23 (5) ◽

pp. 553-557

Author(s):

Qiang Gao ◽

Shuang-lin Hu ◽

Bin Li

Keyword(s):

Boron Nitride ◽

First Principles ◽

Boron Nitride Nanotube ◽

First Principles Study ◽

Field Emissions ◽

Perpendicular Geometry

Download Full-text

Influence of Pyrazine Ring Doping on the15N and11B NMR and Electronic Structure Parameters in Zigzag Boron Nitride Nanotube: A DFT Study

Journal of Chemistry ◽

10.1155/2013/948010 ◽

2013 ◽

Vol 2013 ◽

pp. 1-10

Author(s):

Sattar Arshadi ◽

Ameneh Asghari ◽

Hojatollah Raheimi ◽

Saboora Abedini

Keyword(s):

Electronic Structure ◽

Boron Nitride ◽

Dft Study ◽

Structure Parameters ◽

Boron Nitride Nanotube ◽

Pyrazine Ring

Download Full-text

A First-Principles Investigation of Boron Nitride Nanotube (BNNT) in Gas Sensing Application

2017 International Conference on Computer Technology, Electronics and Communication (ICCTEC) ◽

10.1109/icctec.2017.00196 ◽

2017 ◽

Author(s):

Chong Xu ◽

Xiaoshan Pan ◽

Bin Wei ◽

Songcen Wang

Keyword(s):

Boron Nitride ◽

First Principles ◽

Gas Sensing ◽

Boron Nitride Nanotube ◽

Sensing Application

Download Full-text

First principles study of hydrogen storage material NaBH4and LiAlH4compounds: electronic structure and optical properties

Physica Scripta ◽

10.1088/0031-8949/91/4/045804 ◽

2016 ◽

Vol 91 (4) ◽

pp. 045804 ◽

Cited By ~ 5

Author(s):

T Ghellab ◽

Z Charifi ◽

H Baaziz ◽

Ş Uğur ◽

G Uğur ◽

...

Keyword(s):

Optical Properties ◽

Electronic Structure ◽

Hydrogen Storage ◽

First Principles ◽

Hydrogen Storage Material ◽

Storage Material ◽

First Principles Study

Download Full-text

First-Principles Calculation of the Isotope Effect on Boron Nitride Nanotube Thermal Conductivity

Nano Letters ◽

10.1021/nl802503q ◽

2009 ◽

Vol 9 (1) ◽

pp. 81-84 ◽

Cited By ~ 68

Author(s):

Derek A. Stewart ◽

Ivana Savić ◽

Natalio Mingo

Keyword(s):

Thermal Conductivity ◽

Boron Nitride ◽

Isotope Effect ◽

First Principles ◽

First Principles Calculation ◽

Boron Nitride Nanotube

Download Full-text

Adsorption and Electronic Structure Study of Imidazole on (6,0) Zigzag Single-Walled Boron Nitride Nanotube

Journal of Cluster Science ◽

10.1007/s10876-012-0512-9 ◽

2012 ◽

Cited By ~ 3

Author(s):

Ali Ahmadi Peyghan ◽

Mohammad T. Baei ◽

Masoumeh Moghimi ◽

Saeedeh Hashemian

Keyword(s):

Electronic Structure ◽

Boron Nitride ◽

Structure Study ◽

Boron Nitride Nanotube

Download Full-text

Electronic Structure from First-Principles of LiBH4·NH3, Sr(NH2BH3)2, and Li2Al(BH4)5·6NH3 for Hydrogen Storage Applications

The Journal of Physical Chemistry C ◽

10.1021/jp206142f ◽

2011 ◽

Vol 115 (40) ◽

pp. 20036-20042 ◽

Cited By ~ 9

Author(s):

Muhammad Ramzan ◽

Fredrik Silvearv ◽

Sébastien Lebègue ◽

Rajeev Ahuja

Keyword(s):

Electronic Structure ◽

Hydrogen Storage ◽

First Principles

Download Full-text