Mechanical and electromechanical properties of functionalized hexagonal boron nitride nanosheet: A density functional theory study

Boron Nitride ◽

Density Functional ◽

Hexagonal Boron Nitride ◽

Electromechanical Properties ◽

Functional Theory ◽

Induced magnetic states upon electron–hole injection at B and N sites of hexagonal boron nitride bilayer: A density functional theory study

International Journal of Quantum Chemistry ◽

10.1002/qua.26680 ◽

2021 ◽

Author(s):

B. Chettri ◽

P. K. Patra ◽

Lalmuanchhana ◽

Lalhriatzuala ◽

Swati Verma ◽

...

Keyword(s):

Boron Nitride ◽

Density Functional ◽

Hexagonal Boron Nitride ◽

Hole Injection ◽

Electron Hole ◽

Functional Theory ◽

Magnetic States

Density functional theory study towards capability of Ga-doped boron nitride nanosheet as a nanocarrier for 3-allyl-2 selenohydantoin anticancer drug delivery

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2020.114437 ◽

2021 ◽

Vol 126 ◽

pp. 114437

Author(s):

Morteza Rouhani

Keyword(s):

Drug Delivery ◽

Boron Nitride ◽

Anticancer Drug ◽

Density Functional ◽

Functional Theory ◽

Anticancer Drug Delivery ◽

Lithium Adsorption on Hexagonal Boron Nitride Nanosheet Using Dispersion-Corrected Density Functional Theory Calculations

Japanese Journal of Applied Physics ◽

10.7567/jjap.52.06gg08 ◽

2013 ◽

Vol 52 (6S) ◽

pp. 06GG08 ◽

Cited By ~ 9

Author(s):

Yubin Hwang ◽

Yong-Chae Chung

Keyword(s):

Boron Nitride ◽

Density Functional ◽

Hexagonal Boron Nitride ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

Density Functional Theory Study of Aspirin Adsorption on BCN Sheets and their Hydrogen Evolution Reaction Activity: a Comparative Study with Graphene and Hexagonal Boron Nitride

ChemPhysChem ◽

10.1002/cphc.201801173 ◽

2019 ◽

Vol 20 (5) ◽

pp. 687-694 ◽

Cited By ~ 5

Author(s):

Vivek K. Yadav ◽

Showkat H. Mir ◽

Jayant K. Singh

Keyword(s):

Boron Nitride ◽

Comparative Study ◽

Hydrogen Evolution ◽

Hydrogen Evolution Reaction ◽

Density Functional ◽

Hexagonal Boron Nitride ◽

Functional Theory

Defected boron nitride nanosheet as an electronic sensor for 4-aminophenol: A density functional theory study

Journal of Molecular Liquids ◽

10.1016/j.molliq.2020.112926 ◽

2020 ◽

Vol 306 ◽

pp. 112926 ◽

Cited By ~ 3

Author(s):

Linzhi Li ◽

Jing Zhao

Keyword(s):

Boron Nitride ◽

Density Functional ◽

Functional Theory ◽

Electronic Sensor ◽

H2O2 decomposition mechanism and its oxidative desulfurization activity on hexagonal boron nitride monolayer: A density functional theory study

Journal of Molecular Graphics and Modelling ◽

10.1016/j.jmgm.2018.07.002 ◽

2018 ◽

Vol 84 ◽

pp. 166-173 ◽

Cited By ~ 5

Author(s):

Hongping Li ◽

Yujun Li ◽

Linghao Sun ◽

Suhang Xun ◽

Wei Jiang ◽

...

Keyword(s):

Boron Nitride ◽

Density Functional ◽

Hexagonal Boron Nitride ◽

Oxidative Desulfurization ◽

Decomposition Mechanism ◽

Functional Theory ◽

H2o2 Decomposition ◽

Desulfurization Activity

Zig-zag boron nitride nanotubes functionalization with acetylene molecules: a density functional theory study

Adsorption ◽

10.1007/s10450-018-9985-7 ◽

2018 ◽

Vol 25 (1) ◽

pp. 63-74 ◽

Cited By ~ 2

Author(s):

R. Ponce-Pérez ◽

Gregorio H. Cocoletzi ◽

Noboru Takeuchi

Keyword(s):

Boron Nitride ◽

Density Functional ◽

Boron Nitride Nanotubes ◽

Functional Theory

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):

Structural And Electronic Properties

Boron Nitride ◽

Electronic Properties ◽

Density Functional ◽

Hexagonal Boron Nitride ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

Proceedings of the 2015 2nd International Conference on Machinery, Materials Engineering, Chemical Engineering and Biotechnology ◽

Density Functional Theory Study on the Encapsulation of a Polymeric Nitrogen N8 Chain inside Boron Nitride Nanotube

10.2991/mmeceb-15.2016.174 ◽

2016 ◽

Author(s):

XiuLi Feng

Keyword(s):

Boron Nitride ◽

Density Functional ◽

Boron Nitride Nanotube ◽

Functional Theory ◽

Polymeric Nitrogen

Chemical Reactions on Metal-supported Hexagonal Boron Nitride Investigated with Density Functional Theory

CHIMIA International Journal for Chemistry ◽

10.2533/chimia.2014.596 ◽

2014 ◽

Vol 68 (9) ◽

pp. 596-601 ◽

Cited By ~ 9

Author(s):

Pauline Bacle ◽

Ari Paavo Seitsonen ◽

Marcella Iannuzzi ◽

Jürg Hutter

Keyword(s):

Boron Nitride ◽

Chemical Reactions ◽

Density Functional ◽

Hexagonal Boron Nitride ◽

Functional Theory