First Principles Studies of Extrinsic and Intrinsic Defects in Boron Nitride Nanotubes

M. G. Mashapa; N. Chetty; S. Sinha Ray

doi:10.1166/jnn.2012.6612

First Principles Studies of Extrinsic and Intrinsic Defects in Boron Nitride Nanotubes

Journal of Nanoscience and Nanotechnology ◽

10.1166/jnn.2012.6612 ◽

2012 ◽

Vol 12 (10) ◽

pp. 7807-7814 ◽

Cited By ~ 1

Author(s):

M. G. Mashapa ◽

N. Chetty ◽

S. Sinha Ray

Keyword(s):

Boron Nitride ◽

First Principles ◽

Boron Nitride Nanotubes ◽

Intrinsic Defects

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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

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A first principles study on organic molecule encapsulated boron nitride nanotubes

The Journal of Chemical Physics ◽

10.1063/1.2901026 ◽

2008 ◽

Vol 128 (16) ◽

pp. 164701 ◽

Cited By ~ 20

Author(s):

Wei He ◽

Zhenyu Li ◽

Jinlong Yang ◽

J. G. Hou

Keyword(s):

Boron Nitride ◽

First Principles ◽

Organic Molecule ◽

Boron Nitride Nanotubes ◽

First Principles Study

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First principles study of electronic and structural properties of single walled zigzag boron nitride nanotubes doped with the elements of group IV

Solid State Communications ◽

10.1016/j.ssc.2017.08.020 ◽

2017 ◽

Vol 267 ◽

pp. 1-5 ◽

Cited By ~ 8

Author(s):

Ali Bahari ◽

Amir jalalinejad ◽

Mosahhar Bagheri ◽

Masoud Amiri

Keyword(s):

Boron Nitride ◽

Structural Properties ◽

First Principles ◽

Boron Nitride Nanotubes ◽

Group Iv ◽

First Principles Study ◽

Electronic And Structural Properties

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Homogeneous nanocables from double-walled boron-nitride nanotubes using first-principles calculations

Physical Review B ◽

10.1103/physrevb.82.035412 ◽

2010 ◽

Vol 82 (3) ◽

Cited By ~ 7

Author(s):

Zhuhua Zhang ◽

Xiao Cheng Zeng ◽

Wanlin Guo

Keyword(s):

Boron Nitride ◽

First Principles ◽

Boron Nitride Nanotubes ◽

First Principles Calculations

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Theoretical Study of Ni Adsorption on Single-Walled Boron Nitride Nanotubes with Intrinsic Defects

The Journal of Physical Chemistry C ◽

10.1021/jp7121196 ◽

2008 ◽

Vol 112 (15) ◽

pp. 5778-5783 ◽

Cited By ~ 39

Author(s):

Jing-xiang Zhao ◽

Yi-hong Ding

Keyword(s):

Boron Nitride ◽

Theoretical Study ◽

Boron Nitride Nanotubes ◽

Intrinsic Defects

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First-Principles Calculations on Boron–Nitride Nanotubes

Journal of the Physical Society of Japan ◽

10.1143/jpsj.73.2469 ◽

2004 ◽

Vol 73 (9) ◽

pp. 2469-2472 ◽

Cited By ~ 10

Author(s):

Noejung Park ◽

Jongweon Cho ◽

Hisashi Nakamura

Keyword(s):

Boron Nitride ◽

First Principles ◽

Boron Nitride Nanotubes ◽

First Principles Calculations

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WITHDRAWN: Boron nitride nanotubes interacting with acetone: First principles calculations

Chemical Physics Letters ◽

10.1016/j.cplett.2009.07.050 ◽

2009 ◽

Author(s):

M.D. Ganji ◽

M. Rezvani

Keyword(s):

Boron Nitride ◽

First Principles ◽

Boron Nitride Nanotubes ◽

First Principles Calculations

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First-Principles Study of Water Nanotubes Captured Inside Carbon/Boron Nitride Nanotubes

Langmuir ◽

10.1021/acs.langmuir.8b00856 ◽

2018 ◽

Vol 34 (37) ◽

pp. 11176-11187 ◽

Cited By ~ 10

Author(s):

Farzaneh Shayeganfar ◽

Javad Beheshtian ◽

Rouzbeh Shahsavari

Keyword(s):

Boron Nitride ◽

First Principles ◽

Boron Nitride Nanotubes ◽

First Principles Study

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First-principles study of SO2 molecule adsorption on the pristine and Mn-doped boron nitride nanotubes

Applied Surface Science ◽

10.1016/j.apsusc.2015.04.116 ◽

2015 ◽

Vol 347 ◽

pp. 485-490 ◽

Cited By ~ 28

Author(s):

Zun-Yi Deng ◽

Jian-Min Zhang ◽

Ke-Wei Xu

Keyword(s):

Boron Nitride ◽

First Principles ◽

Boron Nitride Nanotubes ◽

First Principles Study ◽

Molecule Adsorption ◽

Mn Doped

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First-principles studies of zigzag pristine boron nitride nanotubes doped with one iron atom

Applied Physics A ◽

10.1007/s00339-010-5963-y ◽

2010 ◽

Vol 102 (3) ◽

pp. 583-591 ◽

Cited By ~ 6

Author(s):

A. Alencar ◽

S. Azevedo ◽

M. Machado

Keyword(s):

Boron Nitride ◽

Iron Atom ◽

First Principles ◽

Boron Nitride Nanotubes

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