The effect of Ta dopant on the electronic and optical properties of anatase TiO2: a first-principles study

2017 ◽  
Vol 4 (2) ◽  
pp. 024002 ◽  
Author(s):  
Shibghatullah Muhammady ◽  
Eka Nurfani ◽  
Robi Kurniawan ◽  
Inge Magdalena Sutjahja ◽  
Toto Winata ◽  
...  
Keyword(s):  
Optical Properties ◽  
First Principles ◽  
Anatase Tio2 ◽  
Electronic And Optical Properties ◽  
First Principles Study

First-principles study on the electronic and optical properties of F- and Nb-doped anatase TiO2

2011 ◽  
Vol 509 (37) ◽  
pp. 9178-9182 ◽  
Author(s):  
Rui-Shuo Zhang ◽  
Yong Liu ◽  
Qian Gao ◽  
Fan Teng ◽  
Chen-Lu Song ◽  
...  
Keyword(s):  
Optical Properties ◽  
First Principles ◽  
Anatase Tio2 ◽  
Electronic And Optical Properties ◽  
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
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