The influence of cations and anions on some structural and electronic properties of single-walled zigzag boron nitride and aluminum nitride nanotubes: a computational study

Hamid Reza Masoodi; Ali Ebrahimi; Sotoodeh Bagheri

doi:10.1007/s11224-015-0560-5

The influence of cations and anions on some structural and electronic properties of single-walled zigzag boron nitride and aluminum nitride nanotubes: a computational study

Structural Chemistry ◽

10.1007/s11224-015-0560-5 ◽

2015 ◽

Vol 26 (4) ◽

pp. 1013-1024 ◽

Cited By ~ 4

Author(s):

Hamid Reza Masoodi ◽

Ali Ebrahimi ◽

Sotoodeh Bagheri

Keyword(s):

Boron Nitride ◽

Aluminum Nitride ◽

Electronic Properties ◽

Computational Study ◽

Structural And Electronic Properties ◽

Aluminum Nitride Nanotubes

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Computational study of X-doped hexagonal boron nitride (h-BN): structural and electronic properties (X = P, S, O, F, Cl)

Journal of Molecular Modeling ◽

10.1007/s00894-020-04659-z ◽

2021 ◽

Vol 27 (2) ◽

Author(s):

Qurat ul Ain Asif ◽

Akhtar Hussain ◽

Azeem Nabi ◽

Muhammad Tayyab ◽

Hafiz Muhammad Rafique

Keyword(s):

Boron Nitride ◽

Electronic Properties ◽

Hexagonal Boron Nitride ◽

Computational Study ◽

Structural And Electronic Properties

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Computational study of Be-doped hexagonal boron nitride (h-BN): Structural and electronic properties

Computational Condensed Matter ◽

10.1016/j.cocom.2020.e00474 ◽

2020 ◽

Vol 23 ◽

pp. e00474 ◽

Cited By ~ 1

Author(s):

Qurat ul Ain Asif ◽

Akhtar Hussain ◽

Hafiz Muhammad Rafique ◽

Muhammad Tayyab

Keyword(s):

Boron Nitride ◽

Electronic Properties ◽

Hexagonal Boron Nitride ◽

Computational Study ◽

Structural And Electronic Properties

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Structural and electronic properties of adsorbed nucleobases on Si-doped hexagonal boron nitride nanoflake: a computational study

Structural Chemistry ◽

10.1007/s11224-019-1280-z ◽

2019 ◽

Vol 30 (4) ◽

pp. 1277-1287 ◽

Cited By ~ 2

Author(s):

Bahar Borhani ◽

Mohsen Mohsennia ◽

Mehdi Shakourian-Fard

Keyword(s):

Boron Nitride ◽

Electronic Properties ◽

Hexagonal Boron Nitride ◽

Computational Study ◽

Structural And Electronic Properties ◽

Si Doped

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Structural and electronic properties of hybrid graphene and boron nitride nanostructures on Cu

Physical Review B ◽

10.1103/physrevb.88.045317 ◽

2013 ◽

Vol 88 (4) ◽

Cited By ~ 8

Author(s):

Yan Li ◽

Riccardo Mazzarello

Keyword(s):

Boron Nitride ◽

Electronic Properties ◽

Structural And Electronic Properties

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Density-functional-theory calculations of structural and electronic properties of vacancies in monolayer hexagonal boron nitride (h-BN)

Computational Condensed Matter ◽

10.1016/j.cocom.2018.e00354 ◽

2019 ◽

Vol 18 ◽

pp. e00354 ◽

Cited By ~ 3

Author(s):

Wardah Amalia ◽

Pekik Nurwantoro ◽

Sholihun

Keyword(s):

Density Functional Theory ◽

Boron Nitride ◽

Electronic Properties ◽

Density Functional ◽

Hexagonal Boron Nitride ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

Structural And Electronic Properties

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Effect of atom vacancies on elastic and electronic properties of transversely isotropic boron nitride nanotubes: A comprehensive computational study

Computational Materials Science ◽

10.1016/j.commatsci.2018.10.013 ◽

2019 ◽

Vol 156 ◽

pp. 332-345 ◽

Cited By ~ 15

Author(s):

Vijay Choyal ◽

V.K. Choyal ◽

S.I. Kundalwal

Keyword(s):

Boron Nitride ◽

Electronic Properties ◽

Computational Study ◽

Transversely Isotropic ◽

Boron Nitride Nanotubes

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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 ◽

Cited By ~ 54

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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Structural and electronic properties of multilayer graphene on monolayer hexagonal boron nitride/nickel (111) interface system: A van der Waals density functional study

Journal of Applied Physics ◽

10.1063/1.4941552 ◽

2016 ◽

Vol 119 (6) ◽

pp. 065307 ◽

Cited By ~ 5

Author(s):

Celal Yelgel

Keyword(s):

Boron Nitride ◽

Electronic Properties ◽

Density Functional ◽

Hexagonal Boron Nitride ◽

Van Der Waals ◽

Functional Study ◽

Multilayer Graphene ◽

System A ◽

Structural And Electronic Properties ◽

Interface System

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Computational Study of the Structural and Electronic Properties of Dopant Ions in Microporous AlPOs. 1. Acid Catalytic Activity of Divalent Metal Ions

The Journal of Physical Chemistry B ◽

10.1021/jp027285h ◽

2003 ◽

Vol 107 (13) ◽

pp. 3003-3011 ◽

Cited By ~ 19

Author(s):

Iman Saadoune ◽

Furio Corà ◽

C. Richard A. Catlow

Keyword(s):

Catalytic Activity ◽

Metal Ions ◽

Electronic Properties ◽

Computational Study ◽

Divalent Metal ◽

Divalent Metal Ions ◽

Structural And Electronic Properties

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Theoretical investigations of the structural and electronic properties of boron nitride clusters: DFT comparison of several basis sets

Journal of Physics Conference Series ◽

10.1088/1742-6596/1349/1/012137 ◽

2019 ◽

Vol 1349 ◽

pp. 012137

Author(s):

P L Toh ◽

S M Wang

Keyword(s):

Boron Nitride ◽

Electronic Properties ◽

Basis Sets ◽

Theoretical Investigations ◽

Structural And Electronic Properties

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