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 ◽

Author(s):

Noejung Park ◽

Jongweon Cho ◽

Hisashi Nakamura

Keyword(s):

Boron Nitride ◽

First Principles ◽

Boron Nitride Nanotubes ◽

First Principles Calculations

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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) ◽

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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WITHDRAWN: Boron nitride nanotubes interacting with acetone: First principles calculations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 calculations of the Young's modulus of double wall boron-nitride nanotubes

Materials Chemistry and Physics ◽

10.1016/j.matchemphys.2013.01.004 ◽

2013 ◽

Vol 138 (2-3) ◽

pp. 963-966 ◽

Author(s):

D. Vahedi Fakhrabad ◽

N. Shahtahmassebi

Keyword(s):

Boron Nitride ◽

Young’S Modulus ◽

First Principles ◽

Young's Modulus ◽

Boron Nitride Nanotubes ◽

First Principles Calculations ◽

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Electronic properties of C-doped boron nitride nanotubes studied by first-principles calculations

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2014.07.016 ◽

2014 ◽

Vol 64 ◽

pp. 123-128 ◽

Author(s):

Tong Zhao ◽

Jianhao Shi ◽

Meng Huo ◽

Rundong Wan

Keyword(s):

Boron Nitride ◽

Electronic Properties ◽

First Principles ◽

Boron Nitride Nanotubes ◽

First Principles Calculations

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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 ◽

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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Designing two Dimensional Dodecagonal Boron Nitride

CrystEngComm ◽

10.1039/d1ce01354h ◽

2022 ◽

Author(s):

Hajime Suzuki ◽

Itsuki Miyazato ◽

Tanveer Hussain ◽

Fatih Ersan ◽

Satoshi Maeda ◽

...

Keyword(s):

Boron Nitride ◽

First Principles ◽

Two Dimensional ◽

First Principles Calculations

Two-dimensional dodecagonal boron nitride is designed via first principles calculations. Calculations unveil that the proposed two-dimensional dodecagonal boron nitride is energetically stable and less dense than what is observed with...

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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 ◽

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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Structural and electronic properties of the fully hydrogenated boron nitride sheets and nanoribbons: Insight from first-principles calculations

Chemical Physics Letters ◽

10.1016/j.cplett.2010.01.073 ◽

2010 ◽

Vol 488 (1-3) ◽

pp. 67-72 ◽

Author(s):

Shaobin Tang ◽

Zexing Cao

Keyword(s):

Boron Nitride ◽

Electronic Properties ◽

First Principles ◽

First Principles Calculations ◽

Structural And Electronic Properties

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First-principles calculations of monolayer hexagonal boron nitride: Possibility of superconductivity

Physical Review B ◽

10.1103/physrevb.101.134518 ◽

2020 ◽

Vol 101 (13) ◽

Author(s):

Xiao-Tian Jin ◽

Xun-Wang Yan ◽

Miao Gao

Keyword(s):

Boron Nitride ◽

First Principles ◽

Hexagonal Boron Nitride ◽

First Principles Calculations

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