Enhancement of photocatalytic activity of a two-dimensional GeH/graphene heterobilayer under visible light

RSC Advances ◽  
2015 ◽  
Vol 5 (64) ◽  
pp. 52264-52268 ◽  
Author(s):  
Hao Jin ◽  
Ying Dai ◽  
Xiang-Chao Ma ◽  
Lin Yu ◽  
Wei Wei ◽  
...  
Keyword(s):  
Optical Properties ◽  
Photocatalytic Activity ◽  
Dft Calculations ◽  
Visible Light ◽  
Two Dimensional ◽  
Electronic And Optical Properties

The structural, electronic, and optical properties of GeH as well as a GeH/graphene heterointerface are studied based on hybrid DFT calculations including the nonlocal vdW correction.

Auxetic, flexible, and strain-tunable two-dimensional th-AlN for photocatalytic visible light water splitting with anisotropic high carrier mobility

2021 ◽  
Vol 9 (14) ◽  
pp. 4971-4977
Author(s):  
Mehmet Emin Kilic ◽  
Kwang-Ryeol Lee
Keyword(s):  
Optical Properties ◽  
Visible Light ◽  
Water Splitting ◽  
Carrier Mobility ◽  
Two Dimensional ◽  
Light Water ◽  
Photocatalytic Water Splitting ◽  
Electronic And Optical Properties ◽  
High Carrier Mobility ◽  
High Carrier

Tetrahexagonal AlN: a novel two-dimensional family for photocatalytic water splitting with exceptional mechanical, electronic, and optical properties.

scholarly journals Impact of edge structures on interfacial interactions and efficient visible-light photocatalytic activity of metal–semiconductor hybrid 2D materials

2020 ◽  
Vol 10 (10) ◽  
pp. 3279-3289 ◽  
Author(s):  
Deobrat Singh ◽  
Pritam Kumar Panda ◽  
Nabil Khossossi ◽  
Yogendra Kumar Mishra ◽  
Abdelmajid Ainane ◽  
...  
Keyword(s):  
Optical Properties ◽  
Photocatalytic Activity ◽  
Visible Light ◽  
First Principles ◽  
2D Materials ◽  
First Principles Calculations ◽  
Interfacial Interactions ◽  
Electronic And Optical Properties ◽  
Visible Light Photocatalytic Activity ◽  
Visible Light Photocatalytic

The present work systematically investigates the structural, electronic, and optical properties of MoS2/Si2BN heterostructures based on first-principles calculations.

Propose two-dimensional Sb2Te2X (X = S, Se) with isotropic electron mobility and remarkable visible-light response

2019 ◽  
Vol 21 (27) ◽  
pp. 14904-14910 ◽  
Author(s):  
Yan Liang ◽  
Jianwei Li ◽  
Hao Jin ◽  
Baibiao Huang ◽  
Ying Dai
Keyword(s):  
Optical Properties ◽  
Visible Light ◽  
Electron Mobility ◽  
Light Response ◽  
Two Dimensional ◽  
Electronic And Optical Properties ◽  
Photovoltaic Materials ◽  
Visible Light Response

The highly desired electronic and optical properties of the proposed 2D Sb2Te2X compounds place them in the realm of electronic and photovoltaic materials.

Surface modification of TiO2 for visible light photocatalysis: Experimental and theoretical calculations of its electronic and optical properties

2019 ◽  
Vol 34 (01n03) ◽  
pp. 2040067 ◽  
Author(s):  
Dessy Ariyanti ◽  
Surayya Mukhtar ◽  
Nisar Ahmed ◽  
Zhuofeng Liu ◽  
Junzhe Dong ◽  
...  
Keyword(s):  
Optical Properties ◽  
Photocatalytic Activity ◽  
Surface Modification ◽  
Visible Light ◽  
Visible Light Irradiation ◽  
Theoretical Calculations ◽  
Chemical Reduction ◽  
Light Irradiation ◽  
Full Potential ◽  
Electronic And Optical Properties

Surface modification has been used as a method to create defects on [Formula: see text] materials, which can improve their desirable properties. In this paper, defected [Formula: see text] nano-powder was successfully synthesized by chemical reduction using [Formula: see text] as the reducing agent at 300–400[Formula: see text] under argon atmosphere. High defect concentration can be produced by increasing process temperature. The modified [Formula: see text] shows good visible light absorption and photocatalytic activity on degradation of Rhodamine B (4–9 times higher than the pristine [Formula: see text]) with the visible light irradiation. Further XPS analysis and theoretical studies using full potential linearized augmented plane wave (FP-LAPW) method as implemented in wien2k code revealed the existence of oxygen vacancy and [Formula: see text] in the modified samples. These types of defects were responsible for the modifications of the electronic and optical properties of [Formula: see text], resulting in the improved photocatalytic activity in visible light irradiation.

A first-principles study on the electronic and optical properties of a type-II C2N/g-ZnO van der Waals heterostructure

2021 ◽  
Vol 23 (6) ◽  
pp. 3963-3973
Author(s):  
Jianxun Song ◽  
Hua Zheng ◽  
Minxia Liu ◽  
Geng Zhang ◽  
Dongxiong Ling ◽  
...  
Keyword(s):  
Optical Properties ◽  
Dft Calculations ◽  
First Principles ◽  
Van Der Waals ◽  
Band Alignment ◽  
Type Ii ◽  
Electronic And Optical Properties ◽  
Direct Bandgap ◽  
Van Der Waals Heterostructure ◽  
Vdw Heterostructure

The structural, electronic and optical properties of a new vdW heterostructure, C2N/g-ZnO, with an intrinsic type-II band alignment and a direct bandgap of 0.89 eV at the Γ point are extensively studied by DFT calculations.

Structural, electronic, and optical properties of two-dimensional hafnium monoxide nanosheets

2021 ◽  
Vol 130 ◽  
pp. 114690
Author(s):  
Xinxin Deng ◽  
Bingcheng Luo ◽  
Zili Zhang ◽  
Changchun Zhao ◽  
Mengjun Shi ◽  
...  
Keyword(s):  
Optical Properties ◽  
Two Dimensional ◽  
Electronic And Optical Properties

scholarly journals Computational insights into structural, electronic, and optical properties of Janus GeSO monolayer

RSC Advances ◽  
2021 ◽  
Vol 11 (45) ◽  
pp. 28381-28387
Author(s):  
Thi-Nga Do ◽  
Nguyen N. Hieu ◽  
N. A. Poklonski ◽  
Nguyen Thi Thanh Binh ◽  
Cuong Q. Nguyen ◽  
...  
Keyword(s):  
Optical Properties ◽  
Two Dimensional ◽  
Electronic And Optical Properties

Although O is an element of chalcogen group, the study of two-dimensional (2D) O-based Janus dichalcogenides/monochalcogenides, especially their 1T-phase, has not been given sufficient attention.

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