Tunable Electronic and Optical Properties of Monolayer and Multilayer Janus MoSSe as a Photocatalyst for Solar Water Splitting: A First-Principles Study

2018 ◽  
Vol 122 (11) ◽  
pp. 6209-6216 ◽  
Author(s):  
Zhaoyong Guan ◽  
Shuang Ni ◽  
Shuanglin Hu
Keyword(s):  
Optical Properties ◽  
Water Splitting ◽  
First Principles ◽  
Electronic And Optical Properties ◽  
Solar Water ◽  
Solar Water Splitting ◽  
First Principles Study

scholarly journals First-principles study on structural, electronic and optical properties of perovskite solid solutions KB1−xMgxI3 (B = Ge, Sn) toward water splitting photocatalysis

RSC Advances ◽  
2021 ◽  
Vol 11 (42) ◽  
pp. 26432-26443
Author(s):  
Chol-Hyok Ri ◽  
Yun-Sim Kim ◽  
Un-Gi Jong ◽  
Yun-Hyok Kye ◽  
Se-Hun Ryang ◽  
...  
Keyword(s):  
Optical Properties ◽  
Water Splitting ◽  
Potassium Iodide ◽  
Solid Solutions ◽  
First Principles ◽  
Lead Free ◽  
First Principles Calculations ◽  
Electronic And Optical Properties ◽  
First Principles Study

We propose lead-free potassium iodide perovskite solid solutions KBI3 with B-site mixing between Ge/Sn and Mg as potential candidates for photocatalysts based on systematic first-principles calculations.

scholarly journals First-principles study on electronic and optical properties of Cu2ZnSiV I4 (VI=S, Se, and Te) quaternary semiconductors

AIP Advances ◽  
2015 ◽  
Vol 5 (5) ◽  
pp. 057111 ◽  
Author(s):  
Xuebiao Zhang ◽  
Dewei Rao ◽  
Ruifeng Lu ◽  
Kaiming Deng ◽  
Dongguo Chen
Keyword(s):  
Optical Properties ◽  
First Principles ◽  
Electronic And Optical Properties ◽  
First Principles Study

First-principles investigation of the electronic properties of the Bi2O4(101)/BiVO4(010) heterojunction towards more efficient solar water splitting

2020 ◽  
Vol 22 (4) ◽  
pp. 2449-2456 ◽  
Author(s):  
Xiaofei Cao ◽  
Xin Zhao ◽  
Jun Hu ◽  
Zhong Chen
Keyword(s):  
Electronic Properties ◽  
Water Splitting ◽  
First Principles ◽  
Solar Water ◽  
Solar Water Splitting

Forming a Bi2O4/BiVO4 heterojunction can effectively improve the activity and stability of BiVO4 for water splitting reactions.

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