scholarly journals Tuning Photocatalytic Performance of Multilayer ZnO for Water Splitting by Biaxial Strain Composites

Catalysts ◽  
2020 ◽  
Vol 10 (10) ◽  
pp. 1208
Author(s):  
Xiaofan Cai ◽  
Yuewu Huang ◽  
Jinzhi Hu ◽  
Shiwei Zhu ◽  
Xiaohua Tian ◽  
...  

Novel two-dimensional (2D) materials have received extensive attention in the field of photocatalysis due to their unique properties. Traditional ZnO material with wurtzite structure transforms into a stable graphite-like structure that has the characteristics of 2D material when its thickness is less than a few atomic layers. In this work, using first-principles calculations, we investigated the potential of multilayer graphite-like ZnO as a photocatalyst for water splitting. The results showed that multilayer ZnO is a series of direct bandgap semiconductors, and their band edge positions all straddle the redox potential of water. Increasing with the number of layers, the bandgap of multilayer ZnO decreased from 3.20 eV for one layer to 2.21 eV for six layers, and visible light absorption capacity was significantly enhanced. Hence, multilayer ZnO was indeed promising for photocatalytic water splitting. Furthermore, suitable biaxial tensile strain could decrease the bandgap and maintain the stable graphite-like structure at a broader thickness range. In contrast, excessive biaxial tensile strain could change the redox capacity of multilayer ZnO and prevent it from catalyzing water splitting. Our theoretical results show that six-layer ZnO under 1% biaxial strain had direct bandgap of 2.07 eV and represents the most excellent photocatalytic performance among these multilayer ZnO materials.

RSC Advances ◽  
2017 ◽  
Vol 7 (82) ◽  
pp. 52065-52070 ◽  
Author(s):  
Lin Wei ◽  
Xiaoming Zhang ◽  
Xiaobiao Liu ◽  
Hongcai Zhou ◽  
Bo Yang ◽  
...  

C2N6S3 sustains a biaxial tensile strain up to 24% and its Fermi velocity can be tuned by biaxial strain.


2019 ◽  
Vol 21 (27) ◽  
pp. 15151-15156 ◽  
Author(s):  
Guang Yang ◽  
Jia Li ◽  
Ze Liu ◽  
Congcong Li ◽  
Xiujuan Mao

Spin splitting, valley splitting and Berry curvature at the K and K′ valleys of a MoS2/CoO(111) heterostructure can be tuned continually by biaxial tensile strain.


2020 ◽  
Vol 22 (4) ◽  
pp. 2457-2465 ◽  
Author(s):  
Xiaoping Gao ◽  
Yanan Zhou ◽  
Yujia Tan ◽  
Shiqiang Liu ◽  
Zhiwen Cheng ◽  
...  

The electrocatalytic activity of the Co@N1-GY catalyst can be directly optimized by lattice strain and achieves ideal HER performance under tensile strain of 0.5% and the minimum OER overpotential of 0.33 V under 3% biaxial tensile strain.


2021 ◽  
Vol 197 ◽  
pp. 110644
Author(s):  
Juan Song ◽  
Zhao Ding ◽  
Xue-Fei Liu ◽  
Ze-Chen Huang ◽  
Jia-Wei Li ◽  
...  

2018 ◽  
Vol 97 (19) ◽  
Author(s):  
D. Saladukha ◽  
M. B. Clavel ◽  
F. Murphy-Armando ◽  
G. Greene-Diniz ◽  
M. Grüning ◽  
...  

2018 ◽  
Vol 20 (43) ◽  
pp. 27611-27620 ◽  
Author(s):  
Armin Taheri ◽  
Carlos Da Silva ◽  
Cristina H. Amon

A first-principles study is conducted to investigate the effect of biaxial tensile strain on phonon properties and thermal conductivity of buckled phosphorene and arsenene, novel two-dimensional (2D) materials of group-VA.


2016 ◽  
Vol 4 (20) ◽  
pp. 4538-4545 ◽  
Author(s):  
H. Y. Lv ◽  
W. J. Lu ◽  
D. F. Shao ◽  
H. Y. Lu ◽  
Y. P. Sun

The thermoelectric performance of the ZrS2monolayer is greatly enhanced by the biaxial tensile strain, due to the simultaneous increase of the Seebeck coefficient and decrease of the thermal conductivity.


2016 ◽  
Vol 124 ◽  
pp. 183-189 ◽  
Author(s):  
Toktam Morshedloo ◽  
Mahmood Rezaee Roknabadi ◽  
Mohammad Behdani ◽  
Mohsen Modarresi ◽  
Ali Kazempour

2017 ◽  
Vol 196 ◽  
pp. 361-364
Author(s):  
Li-Bin Shi ◽  
Ming-Biao Li ◽  
Xiao-Ming Xiu ◽  
Xu-Yang Liu ◽  
Kai-Cheng Zhang ◽  
...  

2016 ◽  
Vol 55 (4S) ◽  
pp. 04EH14 ◽  
Author(s):  
Satomi Ishida ◽  
Satoshi Kako ◽  
Katsuya Oda ◽  
Tatemi Ido ◽  
Satoshi Iwamoto ◽  
...  

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