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

Si Doped

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 ◽

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 ◽

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 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 ◽

Interface System

Structural and Electronic Properties of Interfaces in Graphene and Hexagonal Boron Nitride Lateral Heterostructures

Chemistry of Materials ◽

10.1021/acs.chemmater.6b01764 ◽

2016 ◽

Vol 28 (14) ◽

pp. 5022-5028 ◽

Cited By ~ 39

Author(s):

Junfeng Zhang ◽

Weiyu Xie ◽

Xiaohong Xu ◽

Shengbai Zhang ◽

Jijun Zhao

Keyword(s):

Boron Nitride ◽

Electronic Properties ◽

Hexagonal Boron Nitride ◽

Computational study of electronic properties of X-doped hexagonal boron nitride (h-BN): X = (Li, Be, Al, C, Si)

Journal of Molecular Modeling ◽

10.1007/s00894-021-04938-3 ◽

2021 ◽

Vol 27 (11) ◽

Author(s):

Qurat ul Ain Asif ◽

Akhtar Hussain ◽

Muhammad Kashif ◽

Muhammad Tayyab ◽

Hafiz Muhammad Rafique

Keyword(s):

Boron Nitride ◽

Electronic Properties ◽

Hexagonal Boron Nitride ◽

Computational Study

Structural and electronic properties of a large-scale Moiré pattern of hexagonal boron nitride on Cu(111) studied with density functional theory

Nanoscale ◽

10.1039/c3nr00709j ◽

2013 ◽

Vol 5 (12) ◽

pp. 5589 ◽

Cited By ~ 28

Author(s):

Ralph Koitz ◽

Ari P Seitsonen ◽

Marcella Iannuzzi ◽

Jürg Hutter

Keyword(s):

Density Functional Theory ◽

Boron Nitride ◽

Electronic Properties ◽

Density Functional ◽

Large Scale ◽

Hexagonal Boron Nitride ◽

Functional Theory ◽

Moire Pattern ◽

Moiré Pattern ◽

Ab initio study of structural and electronic properties of zigzag graphene nanoribbons on hexagonal boron nitride

Journal of Structural Chemistry ◽

10.1134/s0022476614020012 ◽

2014 ◽

Vol 55 (2) ◽

pp. 191-200 ◽

Cited By ~ 8

Author(s):

V. V. Ilyasov ◽

V. Ch. Nguyen ◽

I. V. Ershov ◽

D. Ch. Nguyen

Keyword(s):

Boron Nitride ◽

Ab Initio ◽

Electronic Properties ◽

Graphene Nanoribbons ◽

Hexagonal Boron Nitride ◽

Ab Initio Study ◽

Zigzag Graphene Nanoribbons

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 ◽

Aluminum Nitride Nanotubes

Structural and electronic properties of MoS2, WS2, and WS2/MoS2 heterostructures encapsulated with hexagonal boron nitride monolayers

Journal of Applied Physics ◽

10.1063/1.4998522 ◽

2017 ◽

Vol 122 (6) ◽

pp. 065303 ◽

Cited By ~ 14

Author(s):

C. Yelgel ◽

Ö. C. Yelgel ◽

O. Gülseren

Keyword(s):

Boron Nitride ◽

Electronic Properties ◽

Hexagonal Boron Nitride ◽