defect structures
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The crystal and defect structures of polar KBiNb2O7

2022 ◽  
Author(s):  
Subhadip Mallick ◽  
Weiguo Zhang ◽  
Maria Batuk ◽  
Alexandra Gibbs ◽  
Joke Hadermann ◽  
...  
Keyword(s):  
Cation Exchange ◽  
Defect Structures ◽  
Exchange Reactions

KBiNb2O7 was prepared from RbBiNb2O7 by a sequence of cation exchange reactions which first convert RbBiNb2O7 to LiBiNb2O7, before KBiNb2O7 is formed by a further K-for-Li cation exchange. A combination...

Controlling the Thermoelectric Properties of Nb-Doped TiO2 Ceramics through Engineering Defect Structures

2021 ◽  
Author(s):  
Xiaodong Liu ◽  
Demie Kepaptsoglou ◽  
Zhaohe Gao ◽  
Andrew Thomas ◽  
Krishnendu Maji ◽  
...  
Keyword(s):  
Thermoelectric Properties ◽  
Defect Structures ◽  
Doped Tio2

scholarly journals Vacancy-Induced Magnetism in Fluorographene: The Effect of Midgap State

Molecules ◽  
2021 ◽  
Vol 26 (21) ◽  
pp. 6666
Author(s):  
Daozhi Li ◽  
Xiaoyang Ma ◽  
Hongwei Chu ◽  
Ying Li ◽  
Shengzhi Zhao ◽  
...  
Keyword(s):  
Density Functional ◽  
Linear Trend ◽  
Electronic Devices ◽  
Electronic States ◽  
Applied Strain ◽  
Defect Structures ◽  
Functional Theory ◽  
Vacancy Defects ◽  
Narrow Bandgap ◽  
Spin Polarized

Based on density functional theory, we have systematically investigated the geometric, magnetic, and electronic properties of fluorographene with three types of vacancy defects. With uneven sublattice, the partial defect structures are significantly spin-polarized and present midgap electronic states. The magnetic moment is mainly contributed by the adjacent C atoms of vacancy defects. Furthermore, the strain dependence of the bandgap is analyzed and shows a linear trend with applied strain. This defect-induced tunable narrow bandgap material has great potential in electronic devices and spintronics applications.

Uncovering the coordination effect on the Ni single-atom catalysts for CO2 reduction including vacancy defect and non-vacancy defect structures

Fuel ◽  
2021 ◽  
pp. 122472
Author(s):  
Beibei An ◽  
Jingsheng Zhou ◽  
Zhiyong Zhu ◽  
Yuanyuan Li ◽  
Li Wang ◽  
...  
Keyword(s):  
Co2 Reduction ◽  
Vacancy Defect ◽  
Single Atom ◽  
Defect Structures ◽  
Coordination Effect

From δl- to δTc-pinning in CaKFe4As4 single crystals obtained by adjusting their defect structures

2021 ◽  
Author(s):  
Chunlei Wang ◽  
Tian He ◽  
Dong Chen ◽  
Jingyi Zhang ◽  
Chunfeng Fan ◽  
...  
Keyword(s):  
Single Crystals ◽  
Defect Structures

Machine Learning Prediction of Defect Structures in Amorphous Silicon Dioxide

2021 ◽  
Author(s):  
Diego Milardovich ◽  
Markus Jech ◽  
Dominic Waldhoer ◽  
Al-Moatasem Bellah El-Sayed ◽  
Tibor Grasser
Keyword(s):  
Machine Learning ◽  
Silicon Dioxide ◽  
Amorphous Silicon ◽  
Defect Structures ◽  
Amorphous Silicon Dioxide

Investigations of defect structures for V4+ in CBPB glasses with distinct V2O5 contents

2021 ◽  
Vol 566 ◽  
pp. 120879
Author(s):  
Yi-Ming Wang ◽  
Shao-Yi Wu ◽  
Shi-Jie Jiang ◽  
Ying-Jie Luo ◽  
Qin-Sheng Zhu ◽  
...  
Keyword(s):  
Defect Structures

scholarly journals On the defect structures and associated diffraction phenomena in Au nanoparticles

2021 ◽  
Vol 27 (S1) ◽  
pp. 1746-1746
Author(s):  
Stefan Neumann ◽  
Azita Rezvani ◽  
Doris Segets ◽  
David Rafaja
Keyword(s):  
Au Nanoparticles ◽  
Defect Structures
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