Influence of vacancies on the optical and electronic properties of the rhombohedral In2O3 oxide
Y Pan, M Wen - Journal of the American Ceramic Society, 2024 - Wiley Online Library
To study the vacancy mechanism of In2O3, we apply the first‐principles method to study the
influence of vacancy on the structural stability, electronic and optical properties of the …
influence of vacancy on the structural stability, electronic and optical properties of the …
Lithium Localization by Anions in Argyrodite Solid Electrolytes from Machine‐Learning‐based Simulations
HJ Lee, H Kim, S Ji, K Choi, H Choi… - Advanced Energy …, 2024 - Wiley Online Library
The introduction of density functional theory (DFT) has improved the study of material
properties. This has enabled significant breakthroughs in solid electrolytes, which have …
properties. This has enabled significant breakthroughs in solid electrolytes, which have …
First-principle calculations to investigate mechanical and acoustical properties of predicted stable halide Perovskite ABX3
This work examines the predicted stable halide perovskites' elastic, acoustical, and thermal
characteristics. The work uses the Full Potential-Linearized Augmented Plane Wave (FP …
characteristics. The work uses the Full Potential-Linearized Augmented Plane Wave (FP …
Elastic-acoustic, optical and thermoelectric investigation of Cu6AsS5X (X= Br, I) for renewable energy applications
M Ibrar, G Murtaza, M Haneef, MA Jehangir… - Computational …, 2024 - Elsevier
First-principles computations examine the structure, optoelectronic, elastic-acoustic, and
thermoelectric characteristics of Cu 6 AsS 5 X (X= Br, I). The renowned Perdew–Burke …
thermoelectric characteristics of Cu 6 AsS 5 X (X= Br, I). The renowned Perdew–Burke …
Optoelectronic, thermoelectric, and elastic properties of Cu6PSe5X (X= Br, I) argyrodites using density functional theory
T Zaman, M Ullah, AR Chaudhry, M Ibrar… - Physica …, 2024 - iopscience.iop.org
Abstract Cu 6 PSe 5 X (X= Br, I) argyrodites' structural, optoelectronic, elastic, anisotropic,
and thermal properties are examined using the method of ab initio through the density …
and thermal properties are examined using the method of ab initio through the density …
ТЕМПЕРАТУРНА ПОВЕДІНКА КРАЮ ОПТИЧНОГО ПОГЛИНАННЯ МОНОКРИСТАЛУ Ag8GeS6
ТО Малаховська, АІ Погодін… - Науковий вісник …, 2024 - visnyk-khim.uzhnu.edu.ua
Анотація Вимірювання спектрів оптичного пропускання монокристалічного тернарного
сульфіду Ag 8 GeS 6 проведено у температурному діапазоні 77–300 K на попередньо …
сульфіду Ag 8 GeS 6 проведено у температурному діапазоні 77–300 K на попередньо …
[引用][C] First principles study of elastic and acoustic properties of new chloride perovskites
A Ullah, AR Chaudhry, A Iqbal, M Saeed… - International Journal of …, 2024 - World Scientific
The materials with a perovskite phase have been in the limelight due to their power
conversion efficiency (PSC) in solar cells. New perovskite materials are essential to predict …
conversion efficiency (PSC) in solar cells. New perovskite materials are essential to predict …