Tailoring the Electronic Band Gap and Band Edge Positions in the C2N Monolayer by P and As Substitution for Photocatalytic Water Splitting

2017 ◽  
Vol 121 (40) ◽  
pp. 22216-22224 ◽  
Author(s):  
M. R. Ashwin Kishore ◽  
Ponniah Ravindran
Keyword(s):  
Band Gap ◽  
Water Splitting ◽  
Band Edge ◽  
Electronic Band ◽  
Photocatalytic Water Splitting ◽  
Electronic Band Gap

Tailored Electronic Band Gap and Valance Band Edge of Nickel Oxide via p-Type Incorporation

2021 ◽  
Vol 125 (13) ◽  
pp. 7495-7501
Author(s):  
Gang Wang ◽  
Jinju Zheng ◽  
Boyi Xu ◽  
Chaonan Zhang ◽  
Yue Zhu ◽  
...  
Keyword(s):  
Nickel Oxide ◽  
Band Gap ◽  
Band Edge ◽  
Electronic Band ◽  
Electronic Band Gap ◽  
P Type

The stabilities and electronic structures of single-layer bismuth oxyhalides for photocatalytic water splitting

2014 ◽  
Vol 16 (47) ◽  
pp. 25854-25861 ◽  
Author(s):  
Xue Zhang ◽  
Baihai Li ◽  
Jianlin Wang ◽  
Yu Yuan ◽  
Qiujie Zhang ◽  
...  
Keyword(s):  
Band Gap ◽  
Water Splitting ◽  
Electronic Structures ◽  
Single Layer ◽  
Band Edge ◽  
Photocatalytic Water Splitting ◽  
Bismuth Oxyhalides ◽  
Stable Structures

Single-layer BiOX (X = Cl, Br, I) materials are energetically and dynamically stable structures. Single-layer BiOI is a promising photocatalyst for water splitting because of its suitable band gap and appropriate band edge positions.

The germanium telluride monolayer: a two dimensional semiconductor with high carrier mobility for photocatalytic water splitting

2018 ◽  
Vol 6 (9) ◽  
pp. 4119-4125 ◽  
Author(s):  
Man Qiao ◽  
Yanli Chen ◽  
Yu Wang ◽  
Yafei Li
Keyword(s):  
Band Gap ◽  
Water Splitting ◽  
Carrier Mobility ◽  
Band Edge ◽  
Two Dimensional ◽  
Photocatalytic Water Splitting ◽  
Germanium Telluride ◽  
High Carrier Mobility ◽  
High Carrier

The GeTe monolayer is semiconducting with a considerable band gap and shows appropriate band edge positions for photocatalytic water splitting.

scholarly journals Evidence of direct electronic band gap in two-dimensional van der Waals indium selenide crystals

2019 ◽  
Vol 3 (3) ◽  
Author(s):  
Hugo Henck ◽  
Debora Pierucci ◽  
Jihene Zribi ◽  
Federico Bisti ◽  
Evangelos Papalazarou ◽  
...  
Keyword(s):  
Band Gap ◽  
Van Der Waals ◽  
Indium Selenide ◽  
Two Dimensional ◽  
Electronic Band ◽  
Electronic Band Gap

Pressure Dependence of the Electronic Band Gap in 6HSic

1996 ◽  
Vol 198 (1) ◽  
pp. 81-86 ◽  
Author(s):  
F. Engelbrecht ◽  
J. Zeman ◽  
G. Wellenhofer ◽  
C. Peppermüller ◽  
R. Helbig ◽  
...  
Keyword(s):  
Band Gap ◽  
Pressure Dependence ◽  
Electronic Band ◽  
Electronic Band Gap

Efficient Strategy to Enhance the Photocatalytic Activity of Ir-doped SrTiO3 : A Hybrid DFT Approach

2022 ◽  
Author(s):  
Brindaban Modak
Keyword(s):  
Photocatalytic Activity ◽  
Band Gap ◽  
Water Splitting ◽  
Band Gap Engineering ◽  
Photocatalytic Water Splitting ◽  
Efficient Strategy

Photocatalytic water splitting using sunlight is one of the most promising approaches to produce hydrogen, for which an increasing focus has been directed towards band gap engineering of the existing...

Electronic Band Gap Reduction in Manganese Carbodiimide: MnNCN

2013 ◽  
Vol 117 (24) ◽  
pp. 12754-12761 ◽  
Author(s):  
Teak D. Boyko ◽  
Robert J. Green ◽  
Richard Dronskowski ◽  
Alexander Moewes
Keyword(s):  
Band Gap ◽  
Electronic Band ◽  
Electronic Band Gap

Tuning the binding energy of excitons in the MoS2 monolayer by molecular functionalization and defective engineering

2020 ◽  
Vol 22 (21) ◽  
pp. 11936-11942
Author(s):  
Kangli Wang ◽  
Beate Paulus
Keyword(s):  
Absorption Spectrum ◽  
Binding Energy ◽  
Optical Absorption ◽  
Band Gap ◽  
Optical Absorption Spectrum ◽  
Exciton Binding Energy ◽  
Electronic Band ◽  
Mos2 Monolayer ◽  
Electronic Band Gap

Using the DFT-GW-BSE method, we analyze how the electronic band gap, optical absorption spectrum and exciton binding energy of the MoS2 monolayer are influenced by NO and C3H3N3 molecules and S-defects.

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