A computational study on interactions of Ni- and Pt-doped boron nitride nano tubes with NH 3 in presence and absence of electric fields

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2018.05.013 ◽

2018 ◽

Vol 1136-1137 ◽

pp. 1-9 ◽

Cited By ~ 7

Author(s):

Mohsen Mohsennia ◽

Mahdi Rakhshi ◽

Hossein Rasa

Keyword(s):

Boron Nitride ◽

Electric Fields ◽

Computational Study ◽

Presence And Absence

Download Full-text

Possible Detection of Nerve-Agent Contaminants by Boron Nitride Nanosheets in Presence and Absence of Static Electric Field: a Computational Study

Brazilian Journal of Physics ◽

10.1007/s13538-021-00941-4 ◽

2021 ◽

Author(s):

Mahdi Rakhshi

Keyword(s):

Boron Nitride ◽

Electric Field ◽

Computational Study ◽

Nerve Agent ◽

Static Electric Field ◽

Boron Nitride Nanosheets ◽

Presence And Absence

Download Full-text

Probing and comparison of graphene, boron nitride and boron carbide nanosheets for Flutamide adsorption: A DFT computational study

Journal of Molecular Liquids ◽

10.1016/j.molliq.2021.117487 ◽

2021 ◽

pp. 117487

Author(s):

Yan Cao ◽

Maedeh Kamel ◽

Kamal Mohammadifard ◽

Abbas Heshmati J. M ◽

Mohammad Reza Poor Heravi ◽

...

Keyword(s):

Boron Nitride ◽

Boron Carbide ◽

Computational Study

Download Full-text

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

Download Full-text

Negatively charged boron nitride nanosheets as a potential metal-free electrocatalyst for the oxygen reduction reaction: a computational study

New Journal of Chemistry ◽

10.1039/c8nj01228h ◽

2018 ◽

Vol 42 (15) ◽

pp. 12838-12844 ◽

Cited By ~ 3

Author(s):

Xin Wen ◽

Yongcheng Wang ◽

Jingxiang Zhao

Keyword(s):

Boron Nitride ◽

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

Computational Study ◽

Reduction Reaction ◽

Metal Free ◽

Boron Nitride Nanosheets ◽

Boron Nitride Nanosheet

The negative charged boron nitride nanosheet is a novel metal free catalysts for the oxygen reduction reaction.

Download Full-text

Long lifetimes of high molecular Rydberg states in crossed magnetic and electric fields: An experimental and classical computational study

Physical Review A ◽

10.1103/physreva.51.3922 ◽

1995 ◽

Vol 51 (5) ◽

pp. 3922-3933 ◽

Cited By ~ 24

Author(s):

Annette Mühlpfordt ◽

U. Even ◽

Eran Rabani ◽

R. D. Levine

Keyword(s):

Electric Fields ◽

Computational Study ◽

Rydberg States

Download Full-text

Tuning the Electronic and Magnetic Properties of Graphene Flake Embedded in Boron Nitride Nanoribbons with Transverse Electric Fields: First-Principles Calculations

ACS Omega ◽

10.1021/acsomega.9b00752 ◽

2019 ◽

Vol 4 (6) ◽

pp. 10293-10301 ◽

Cited By ~ 7

Author(s):

Zhaoyong Guan ◽

Shuang Ni ◽

Shuanglin Hu

Keyword(s):

Magnetic Properties ◽

Boron Nitride ◽

Electric Fields ◽

First Principles ◽

Transverse Electric ◽

First Principles Calculations ◽

Graphene Flake ◽

Electronic And Magnetic Properties ◽

Transverse Electric Fields ◽

Boron Nitride Nanoribbons

Download Full-text

Stabilization of merocyanine by protonation, charge, and external electric fields and effects on the isomerization of spiropyran: a computational study

Theoretical Chemistry Accounts ◽

10.1007/s00214-012-1255-2 ◽

2012 ◽

Vol 131 (8) ◽

Cited By ~ 11

Author(s):

Renuka Ganesan ◽

F. Remacle

Keyword(s):

Electric Fields ◽

Computational Study ◽

External Electric Fields

Download Full-text

Density functional theory study on the adsorption of CO on X= (Mn and Tc)-doped graphene sheets in the presence and absence of static electric fields

Molecular Physics ◽

10.1080/00268976.2020.1822556 ◽

2020 ◽

pp. e1822556

Author(s):

Mahdi Rezaei-Sameti ◽

Mahdi Rakhshi

Keyword(s):

Density Functional Theory ◽

Electric Fields ◽

Density Functional ◽

Graphene Sheets ◽

Density Functional Theory Study ◽

Functional Theory ◽

Doped Graphene ◽

Adsorption Of Co ◽

Presence And Absence ◽

Static Electric Fields

Download Full-text

Adsorption of diazinon and hinosan molecules on the iron-doped boron nitride nanotubes surface in gas phase and aqueous solution: A computational study

Applied Surface Science ◽

10.1016/j.apsusc.2015.12.202 ◽

2016 ◽

Vol 364 ◽

pp. 862-869 ◽

Cited By ~ 8

Author(s):

Davood Farmanzadeh ◽

Hamid Rezainejad

Keyword(s):

Aqueous Solution ◽

Boron Nitride ◽

Gas Phase ◽

Computational Study ◽

Boron Nitride Nanotubes ◽

Iron Doped

Download Full-text

Disiline-doped boron nitride nanotubes: A computational study

Journal of Structural Chemistry ◽

10.1134/s0022476614040064 ◽

2014 ◽

Vol 55 (4) ◽

pp. 629-635 ◽

Cited By ~ 1

Author(s):

S. Arshadi ◽

A. R. Bekhradnia ◽

E. Mohammadi ◽

A. Asghari

Keyword(s):

Boron Nitride ◽

Computational Study ◽

Boron Nitride Nanotubes

Download Full-text