defects and impurities
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DIMS: A tool for setting up defects and impurities CASTEP calculations

2022 ◽  
Vol 202 ◽  
pp. 110976
Author(s):  
Stavros-Richard G. Christopoulos ◽  
Konstantina A. Papadopoulou ◽  
Alexandros Konios ◽  
David Parfitt
Keyword(s):  
Defects And Impurities

scholarly journals The Effect of Graphite Addition on Thermal Conductivity, Microstructure, and Electrochemical Impedance Spectroscopy of AlN Ceramics

2021 ◽  
Author(s):  
Tun Wang ◽  
Jianjun Xie ◽  
Lei Zhang ◽  
Tao Lu ◽  
Maomao Ding ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Activation Energy ◽  
Electrochemical Impedance Spectroscopy ◽  
Impedance Spectroscopy ◽  
Electrochemical Impedance ◽  
Reduction Reaction ◽  
Oxygen Impurity ◽  
Carbon Reduction ◽  
Defects And Impurities ◽  
Multiphase Ceramics

Abstract Graphite/ aluminum nitride (AlN) multiphase ceramics are pressureless sintered under 1850°C using Dy2O3 and CaF2 as sintering additives. The effects of added graphite on microstructure, thermal conductivity, and electrochemical impedance spectroscopy of AlN ceramics were investigated. It was found that with 1wt% graphite addition the thermal conductivity of AlN in the through-plane to can achieve 210W/(m·K), which 25% higher than that of AlN without graphite. The graphite addition eliminates the oxygen impurity in AlN by a carbon reduction reaction in form of nanosized Dy2O3 particles. From electrochemical impedance spectroscopy manifested that the activation energy (Ea,g) of samples in grains is increased from 0.784 eV to 1.112 eV, suggesting that the concentrations of defects and impurities of Graphite/AlN multiphase ceramics are lower than those of monophase AlN ceramics.

Plasmons in Graphene Nanostructures with Point Defects and Impurities

2021 ◽  
Vol 125 (39) ◽  
pp. 21503-21510
Author(s):  
François Aguillon ◽  
Dana Codruta Marinica ◽  
Andrei G. Borisov
Keyword(s):  
Point Defects ◽  
Defects And Impurities ◽  
Graphene Nanostructures

Effects of defects and impurities on the adsorption of H2O on smithsonite (101) surfaces: Insight from DFT-D and MD

2021 ◽  
pp. 127300
Author(s):  
Yuanjia Luo ◽  
Leming Ou ◽  
Jianhua Chen ◽  
Guofan Zhang ◽  
Yuqin Xia ◽  
...  
Keyword(s):  
Defects And Impurities

scholarly journals A first-principles understanding of point defects and impurities in GaN

2021 ◽  
Vol 129 (11) ◽  
pp. 111101
Author(s):  
John L. Lyons ◽  
Darshana Wickramaratne ◽  
Chris G. Van de Walle
Keyword(s):  
Point Defects ◽  
First Principles ◽  
Defects And Impurities

The Morphologies, Defects, and Impurities of Diamonds in the Zapolyarnaya Pipe

2021 ◽  
Vol 76 (2) ◽  
pp. 204-214
Author(s):  
S. V. Vyatkin ◽  
G. Yu. Kriulina ◽  
V. K. Garanin ◽  
D. V. Konogorova ◽  
E. A. Vasil’ev ◽  
...  
Keyword(s):  
Defects And Impurities

(Invited) First-Principles Understanding of Deep-Level Defects and Impurities in GaN and Nitride Alloys

2020 ◽  
Vol MA2020-02 (26) ◽  
pp. 1822-1822
Author(s):  
JOHN L Lyons ◽  
Evan Glaser ◽  
Darshana Wickramaratne ◽  
Audrius Alkauskas ◽  
Cyrus Dreyer ◽  
...  
Keyword(s):  
First Principles ◽  
Deep Level ◽  
Defects And Impurities ◽  
Nitride Alloys

Investigation of native defects and impurities in X-N (X = Al, Ga, In)

2020 ◽  
pp. 110169
Author(s):  
Yingjie Chen ◽  
Liyuan Wu ◽  
Dan Liang ◽  
Pengfei Lu ◽  
Jianjun Wang ◽  
...  
Keyword(s):  
Native Defects ◽  
Defects And Impurities

Doping quantum materials: Defects and impurities in FeGa3

2020 ◽  
Vol 102 (9) ◽  
Author(s):  
J. C. Alvarez-Quiceno ◽  
M. A. Avila ◽  
J. M. Osorio-Guillén ◽  
G. M. Dalpian
Keyword(s):  
Defects And Impurities ◽  
Quantum Materials
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