Preparation of BaSnO3 and Ba0.96La0.04SnO3 by reactive core–shell precursor: formation process, CO sensitivity, electronic and optical properties analysis

RSC Advances ◽  
2016 ◽  
Vol 6 (30) ◽  
pp. 25379-25387 ◽  
Author(s):  
Chuande Huang ◽  
Xiaodong Wang ◽  
Xueyan Wang ◽  
Xin Liu ◽  
Quan Shi ◽  
...  
Keyword(s):  
Optical Properties ◽  
Conduction Band ◽  
Formation Process ◽  
Core Shell ◽  
Electronic And Optical Properties ◽  
Band Filling ◽  
La Doped

A facile method for preparing pure and La doped BaSnO3 by reactive core–shell precursor was proposed and clear evidence of conduction band filling in La doped BaSnO3 was presented.

Regulating the electronic and optical properties of GaN/InN core/shell nanowires: A first-principles study

2020 ◽  
Vol 34 (25) ◽  
pp. 2050214 ◽  
Author(s):  
Chang Liu ◽  
Enling Li ◽  
Tuo Peng ◽  
Kaifei Bai ◽  
Yanpeng Zheng ◽  
...  
Keyword(s):  
Optical Properties ◽  
First Principles ◽  
Core Shell ◽  
First Principles Calculations ◽  
Electronic And Optical Properties ◽  
Gan Nanowires ◽  
The Core ◽  
Light Region ◽  
Calculation Results ◽  
Shell Nanowires

In this paper, electronic and optical properties of GaN/InN core/shell nanowires (CSNWs) have been theoretically investigated through the first principles calculations. The binding energy of In and N atoms on surface of six crystal planes along the [Formula: see text]-axis of GaN nanowires are all negative, which indicate that In and N atoms can be effectively deposited on the surface of GaN nanowires and preparing GaN/InN CSNWs is feasible theoretically. Calculation results of electronic properties indicate that the core/shell ratio and diameter of GaN/InN CSNWs have significant effect on the band structure, bandgap can be effectively adjusted when keeping the number of GaN layers unchanged and changing the number of InN layers. Moreover, with the increase in the number of InN layers, the absorption spectrum of GaN/InN CSNW has significant redshift and few weak absorption peaks appear in the visible light region.

ELECTRONIC AND OPTICAL PROPERTIES OF MgV0.125Al1.875O4 BY FIRST PRINCIPLES

2009 ◽  
Vol 23 (06n07) ◽  
pp. 1701-1706
Author(s):  
MEILING LI ◽  
FENGJIU SUN
Keyword(s):  
Optical Properties ◽  
Charge Transfer ◽  
Conduction Band ◽  
Influencing Factor ◽  
Optical Excitation ◽  
Electronic And Optical Properties ◽  
Optical Process ◽  
Charge Transfer Transitions ◽  
Specific Rule ◽  
D Orbitals

The electronic and optical properties of MgV 0.125 Al 1.875 O 4 are investigated by use of the first principle. The calculated results indicate that the V -doped compound is semiconductor with a small gap 0.2102eV. It is concluded that the doping element V has specific rule in the MgAl 2 O 4 spinel, which leads it showing finite value DOS at the Fermi level and makes the total DOS gaps smaller than that of MgAl 2 O 4. In MgV 0.125 Al 1.875 O 4, the influencing factor on the optical process is that the 3d orbitals of V ion are highly localized and the part of 3d bands well incorporate into the conduction band, which very benefit to charge transfer transitions between O 2 p orbitals to the hybridized V 3 d orbitals near the conduction band. The absorption intensifies in the visible zone due to the V doping. The charge-transfer transitions around 282nm and 433nm between V and O are attributed to the optical excitation and deexcitation process, respectively, in agreement with experimental observations.

scholarly journals First-principles insights on the electronic and optical properties of ZnO@CNT core@shell nanostructure

2018 ◽  
Vol 8 (1) ◽  
Author(s):  
Yang Shen ◽  
Xiaodong Yang ◽  
Yue Bian ◽  
Kuiying Nie ◽  
Songmin Liu ◽  
...  
Keyword(s):  
Optical Properties ◽  
First Principles ◽  
Core Shell ◽  
Electronic And Optical Properties

scholarly journals Electronic and optical properties of La-doped Sr3Ir2O7 epitaxial thin films

2018 ◽  
Vol 2 (2) ◽  
Author(s):  
M. Souri ◽  
J. Terzic ◽  
J. M. Johnson ◽  
J. G. Connell ◽  
J. H. Gruenewald ◽  
...  
Keyword(s):  
Thin Films ◽  
Optical Properties ◽  
Epitaxial Thin Films ◽  
Electronic And Optical Properties ◽  
La Doped

First-principles Study on Electronic and Optical Properties of ZnO/GaN-Core/Shell Heterostructures

2013 ◽  
Vol 42 (2) ◽  
pp. 156-158
Author(s):  
吴木生 WU Mu-sheng ◽  
袁文 YUAN Wen ◽  
刘刚 LIU Gang ◽  
王燕 WANG Yan ◽  
叶志清 YE Zhi-qing
Keyword(s):  
Optical Properties ◽  
First Principles ◽  
Core Shell ◽  
Electronic And Optical Properties ◽  
First Principles Study

Orientation dependent electronic and optical properties of ZnS nanowires and ZnS—Si core shell nanowires

2019 ◽  
Vol 486 ◽  
pp. 539-545 ◽  
Author(s):  
Shafiq Ur Rehman ◽  
Muhammad Hafeez ◽  
Waqar Uddin ◽  
Sayed Ali Khan ◽  
Qixiao Lu ◽  
...  
Keyword(s):  
Optical Properties ◽  
Core Shell ◽  
Electronic And Optical Properties ◽  
Shell Nanowires

Electronic and optical properties of GaN/AlN core–shell nanowires

2019 ◽  
Vol 34 (02) ◽  
pp. 2050021 ◽  
Author(s):  
Jiangshan Zheng ◽  
Enling Li ◽  
Jie Yan ◽  
Zhen Cui ◽  
Deming Ma
Keyword(s):  
Optical Properties ◽  
Band Gap ◽  
Electromagnetic Waves ◽  
Density Functional ◽  
Field Energy ◽  
Core Shell ◽  
Functional Theory ◽  
Electronic And Optical Properties ◽  
Ultraviolet Range ◽  
Shell Nanowires

The electronic and optical properties of GaN/AlN core–shell nanowires (NWs) with different core–shell ratios are studied by means of density functional theory (DFT). The results show that as the GaN core structure increases (the AlN shell remains unchanged), the band gap of NWs decreases. In contrast, with the increase of AlN shell (GaN nucleus remains unchanged), the band gap almost remains unchanged. That is to say the adjustment capability of core–shell ratio for the band gap of GaN/AlN core–shell NWs with the same diameter of GaN core degenerates, and the band gap of which are mainly controlled by GaN core. Ga–N bond and Al–N bond show a strong ionic property because of the electronegativity of N is strong over Ga and Al. In addition, the calculated results of the real part [Formula: see text] and the imaginary parts [Formula: see text] with photon energy indicate that the storage capability and loss of the NWs to electric field energy are different with the content of AlN. The four structured NWs reflect electromagnetic waves as conductor in a high frequency ultraviolet range. The results are valuable for the design of GaN/AlN core–shell NWs optoelectronic nanodevices and the research of other core–shell NWs heterostructures.

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