Study on electronic and optical properties of alkali metal atoms adsorbed GaAs nanowires by first-principles calculations

2018 ◽  
Vol 278 ◽  
pp. 42-48 ◽  
Author(s):  
Yu Diao ◽  
Lei Liu ◽  
Sihao Xia ◽  
Shu Feng ◽  
Feifei Lu
Keyword(s):  
Optical Properties ◽  
Alkali Metal ◽  
First Principles ◽  
First Principles Calculations ◽  
Electronic And Optical Properties ◽  
Metal Atoms ◽  
Gaas Nanowires

Investigations of electronic and nonlinear optical properties of single alkali metal adsorbed graphene, graphyne and graphdiyne systems by first-principles calculations

2019 ◽  
Vol 7 (6) ◽  
pp. 1630-1640 ◽  
Author(s):  
Xiaojun Li ◽  
Shikun Li
Keyword(s):  
Optical Properties ◽  
Alkali Metal ◽  
First Principles ◽  
Nonlinear Optical ◽  
Nonlinear Optical Properties ◽  
First Hyperpolarizability ◽  
First Principles Calculations ◽  
Metal Atoms ◽  
Nlo Materials ◽  
Carbon Based

Novel carbon-based nonlinear optical (NLO) materials were designed by doping single alkali metal atoms into the surface of graphdiyne (GDY), rather than graphene and graphyne, because AM@GDY (AM = Li, Na, K) possesses an exceptionally high first hyperpolarizability (βtot), especially in the case of K@GDY.

scholarly journals The electronic and optical properties of Au decorated(1 01¯4) dolomite surface: A first principles calculations

2021 ◽  
Vol 21 ◽  
pp. 103827
Author(s):  
Jianrong Wang ◽  
Weibin Zhang ◽  
Qingfeng Wu ◽  
Shufang Gao ◽  
Yuanyuan Jin ◽  
...  
Keyword(s):  
Optical Properties ◽  
First Principles ◽  
First Principles Calculations ◽  
Electronic And Optical Properties

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.

First-principles calculations of structural, electronic and optical properties of CdxZn1−xS alloys

2010 ◽  
Vol 507 (2) ◽  
pp. 356-363 ◽  
Author(s):  
N.A. Noor ◽  
N. Ikram ◽  
S. Ali ◽  
S. Nazir ◽  
S.M. Alay-e-Abbas ◽  
...  
Keyword(s):  
Optical Properties ◽  
First Principles ◽  
First Principles Calculations ◽  
Electronic And Optical Properties
Sign in / Sign up

Export Citation Format

Share Document