A DFT study of GaSe/AlN(ZnO) two-dimensional vdW heterostructure practiced as an encouraging photocatalyst for water splitting

2022 ◽  
Vol 201 ◽  
pp. 110912
Author(s):  
Koussai Lazaar ◽  
Mohamed Barhoumi ◽  
Moncef Said
Author(s):  
Kourosh Rahimi ◽  
Alireza Z. Moshfegh

Van der Waals (vdW) heterostructures of two-dimensional monolayers are an almost new class of materials with highly tunable band alignment, bandgap energy, and its type. In this study, we performed...


ACS Omega ◽  
2020 ◽  
Vol 5 (37) ◽  
pp. 23762-23768 ◽  
Author(s):  
M. R. Ashwin Kishore ◽  
Karin Larsson ◽  
Ponniah Ravindran

Author(s):  
Keat Hoe Yeoh ◽  
Khian-Hooi Chew ◽  
Tiem Leong Yoon ◽  
Robin Chang Yee Hui ◽  
Duu Sheng Ong

Based on first-principles calculations, we propose a new two-dimensional (2D) van der Waal (vdW) heterostructure that can be used as a photocatalyst for water splitting. The heterostructure consists of vertically...


2020 ◽  
Vol 16 ◽  
Author(s):  
Chanchan Fan ◽  
Peng Zhang ◽  
Ranran Wang ◽  
Yezhu Xu ◽  
Xingrui Sun ◽  
...  

: A new kind of two-dimensional (2D) materials MXene (early transition metal carbides, nitrides and carbonitrides) is obtained by selective etching the A element from the MAX phases. MXene exhibits both the metallic conductivity and the hydrophilic nature due to its metal layer structure and hydroxyl or oxygen terminated surfaces. This review provides an overview of the MXene used in the electrolytes and electrodes for the fuel cells and water splitting. MXene with functional groups termination could construct ion channels that significantly benefits to the ion conductivity through the electrolyte. The metal supported by MXene interaction offers electronic, compositional, and geometric effects that could enhance the catalytic activity and stability. MXene have already shown promising performance for fuel cells and water electrolysis. Herein, the etching and intercalation methods of MXene in recent years are summarized. The applications of MXene for fuel cells electrolyte, catalyst and water splitting catalyst are revealed to provide more brief idea for MXene used as new energy materials.


2021 ◽  
Vol 9 (14) ◽  
pp. 4971-4977
Author(s):  
Mehmet Emin Kilic ◽  
Kwang-Ryeol Lee

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


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