Conformational and electronic band structure analysis of a new type of high performance polybenzothiazole polymers

1986 ◽  
Vol 21 (7) ◽  
pp. 2322-2326
Author(s):  
K. Nayak
Keyword(s):  
Band Structure ◽  
Structure Analysis ◽  
High Performance ◽  
Electronic Band Structure ◽  
Electronic Band ◽  
New Type

Electronic structure, phonons and optical propertiesof baryte type scintillators TlXO4 (X=Cl, Br)

2021 ◽  
Author(s):  
Supratik Mukherjee ◽  
Aiswarya T ◽  
Subrata Mondal ◽  
Ganapathy Vaitheeswaran
Keyword(s):  
Band Structure ◽  
High Performance ◽  
High Energy Physics ◽  
Electronic Band Structure ◽  
Blue Shift ◽  
High Energy ◽  
Electronic Band ◽  
Nuclear Security ◽  
A Charge ◽  
Physics Experiments

Abstract This article thoroughly addresses the structural, mechanical, vibrational, electronic band structure and the optical properties of the unexplored thallous perchlorate and perbromate from ab-initio calculations. The zone centered vibrational phonon frequencies shows, there is a blue shift in the mid and high frequency range from Cl → Br due to change in mass and force constant with respect to oxygen atom. From the band structure it is clear that the top of the valence band is due to thallium s states, whereas the bottom of the conduction band is due to halogen s and oxygen p states, showing similar magnitude of dispersion and exhibits a charge transfer character. These characteristics and the band gap obtained are consistent with that of a favourable scintillators. Our findings deliver directions for the design of efficient TlXO4 based scintillators with high performance which are desirable for distinct applications such as medical imaging, high energy physics experiments, nuclear security.

An Innovative Model for Electronic Band Structure Analysis of Doped and Un-Doped ZnO

2021 ◽  
Vol 50 (4) ◽  
pp. 2417-2424
Author(s):  
Praveen K. Saxena ◽  
Anshika Srivastava ◽  
Anshu Saxena ◽  
Fanish Gupta ◽  
Priyanka Shakya ◽  
...  
Keyword(s):  
Band Structure ◽  
Structure Analysis ◽  
Electronic Band Structure ◽  
Electronic Band ◽  
Innovative Model ◽  
Doped Zno

The electronic band structure analysis of OLED device by means of in situ LEIPS and UPS combined with GCIB

2020 ◽  
Vol 52 (12) ◽  
pp. 948-952
Author(s):  
Masahiro Terashima ◽  
Takuya Miyayama ◽  
Tetsuro Shirao ◽  
Hin Wai Mo ◽  
Yasuhiro Hatae ◽  
...  
Keyword(s):  
Band Structure ◽  
Structure Analysis ◽  
Electronic Band Structure ◽  
Oled Device ◽  
Electronic Band

Tuning the electronic band structure of Mott–Schottky heterojunctions modified with surface sulfur vacancy achieves an oxygen electrode with high catalytic activity for lithium–oxygen batteries

2020 ◽  
Vol 8 (22) ◽  
pp. 11337-11345 ◽  
Author(s):  
Ranxi Liang ◽  
Chaozhu Shu ◽  
Anjun Hu ◽  
Chenxi Xu ◽  
Ruixin Zheng ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Band Structure ◽  
Electronic Band Structure ◽  
Oxygen Electrode ◽  
High Catalytic Activity ◽  
Sulfur Vacancy ◽  
Electronic Band ◽  
New Type ◽  
Lithium Oxygen Batteries

A new type of surface sulfur-vacancy-modified Ru/ZnIn2S4 Mott–Schottky heterojunctions is elaborately proposed to boost the performance of Li–O2 batteries.

Engineering electronic band structure and thermoelectric performance of GeTe via lattice structure manipulation from first-principles

2021 ◽  
Author(s):  
Tianyu Wang ◽  
Chun Zhang ◽  
Jia-Yue Yang ◽  
Linhua Liu
Keyword(s):  
Band Structure ◽  
Thermoelectric Material ◽  
First Principles ◽  
High Performance ◽  
Figure Of Merit ◽  
Electronic Band Structure ◽  
Lattice Structure ◽  
Thermoelectric Performance ◽  
Electronic Band ◽  
Band Engineering

GeTe has become a high-performance thermoelectric material with a figure of merit (ZT) over two through alloying and band engineering strategies. Yet, the question on how to effective engineer electronic...

The electronic band structure of silicon

Physica ◽  
1954 ◽  
Vol 3 (7-12) ◽  
pp. 967-970
Author(s):  
D JENKINS
Keyword(s):  
Band Structure ◽  
Electronic Band Structure ◽  
Electronic Band
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