First-Principles Study of the Structural, Electronic, and Optical Properties of Oxide-Sheathed Silicon Nanowires

ACS Nano ◽  
2011 ◽  
Vol 5 (3) ◽  
pp. 1713-1723 ◽  
Author(s):  
Robert J. Bondi ◽  
Sangheon Lee ◽  
Gyeong S. Hwang
Keyword(s):  
Optical Properties ◽  
Silicon Nanowires ◽  
First Principles ◽  
Electronic And Optical Properties ◽  
First Principles Study

scholarly journals First-principles study of electronic and optical properties of Ni-doped silicon nanowires

2010 ◽  
Vol 59 (11) ◽  
pp. 8071
Author(s):  
Liang Wei-Hua ◽  
Ding Xue-Cheng ◽  
Chu Li-Zhi ◽  
Deng Ze-Chao ◽  
Guo Jian-Xin ◽  
...  
Keyword(s):  
Optical Properties ◽  
Silicon Nanowires ◽  
First Principles ◽  
Electronic And Optical Properties ◽  
First Principles Study ◽  
Doped Silicon

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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