Ab-initio investigation of optoelectronic properties for elpasolite Cs2NaVCl6 using GGA+U approach: Band gap engineering

2021 ◽  
Vol 26 ◽  
pp. e00531
Author(s):  
B. Bouadjemi ◽  
M. Houari ◽  
S. Benatmane ◽  
M. Matougui ◽  
S. Haid ◽  
...  
Keyword(s):  
Ab Initio ◽  
Band Gap ◽  
Optoelectronic Properties ◽  
Band Gap Engineering

Hydrogen-bond enhancement triggered structural evolution and band gap engineering of hybrid perovskite (C6H5CH2NH3)2PbI4 under high pressure

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Vol 22 (4) ◽  
pp. 1841-1846 ◽  
Author(s):  
Can Tian ◽  
Yongfu Liang ◽  
Wuhao Chen ◽  
Yanping Huang ◽  
Xiaoli Huang ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
High Pressure ◽  
Band Gap ◽  
Structural Evolution ◽  
Optoelectronic Properties ◽  
Band Gap Engineering ◽  
Hybrid Perovskite

Hybrid organic–inorganic perovskites (HOIPs) have gained substantial attention due to their excellent photovoltaic and optoelectronic properties.

Band gap Engineering of ZnO via transition metal Doping: An ab initio study

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Vol 781 ◽  
pp. 138979
Author(s):  
Muhammad Abdul Moiz ◽  
Abdullah Mumtaz ◽  
Muhammad Salman ◽  
Syed Wilayat Husain ◽  
Abrar H Baluch ◽  
...  
Keyword(s):  
Transition Metal ◽  
Ab Initio ◽  
Band Gap ◽  
Transition Metal Doping ◽  
Ab Initio Study ◽  
Metal Doping ◽  
Band Gap Engineering

Band Gap Engineering in Zigzag Graphene Nanoribbons—An Ab Initio Approach

2012 ◽  
Vol 9 (8) ◽  
pp. 1084-1089 ◽  
Author(s):  
Satyendra Singh Chauhan ◽  
Pankaj Srivastava ◽  
Ashwani Kumar Shrivastava
Keyword(s):  
Ab Initio ◽  
Band Gap ◽  
Graphene Nanoribbons ◽  
Band Gap Engineering ◽  
Ab Initio Approach ◽  
Zigzag Graphene Nanoribbons

Band gap engineering in doped graphene nanoribbons: An ab initio approach

2013 ◽  
Vol 154 ◽  
pp. 69-71 ◽  
Author(s):  
Satyendra Singh Chauhan ◽  
Pankaj Srivastava ◽  
A.K. Shrivastava
Keyword(s):  
Ab Initio ◽  
Band Gap ◽  
Graphene Nanoribbons ◽  
Band Gap Engineering ◽  
Doped Graphene ◽  
Ab Initio Approach

Band gap engineering of a MoS2 monolayer through oxygen alloying: an ab initio study

2018 ◽  
Vol 29 (50) ◽  
pp. 505701 ◽  
Author(s):  
N F Andriambelaza ◽  
R E Mapasha ◽  
N Chetty
Keyword(s):  
Ab Initio ◽  
Band Gap ◽  
Ab Initio Study ◽  
Band Gap Engineering ◽  
Mos2 Monolayer

Ab Initio Design of 2D Hybrid Organohalide Perovskites with Tunable Band Gap

2017 ◽  
Author(s):  
Maurizio Cossi ◽  
Alberto Fraccarollo ◽  
Leonardo Marchese
Keyword(s):  
Ab Initio ◽  
Band Gap ◽  
Tunable Band Gap

Temperature-dependent study of GaAs1−x−y N x Bi y alloys for band-gap engineering: photoreflectance and k · p modeling

2020 ◽  
Vol 13 (9) ◽  
pp. 091005
Author(s):  
Wiktor Żuraw ◽  
Wojciech M. Linhart ◽  
Jordan Occena ◽  
Tim Jen ◽  
Jared. W. Mitchell ◽  
...  
Keyword(s):  
Band Gap ◽  
Temperature Dependent ◽  
Band Gap Engineering ◽  
Temperature Dependent Study
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