[HTML][HTML] Investigating the effects of hydrostatic pressure on the physical properties of cubic Sr3BCl3 (B= As, Sb) for improved optoelectronic applications: A DFT study
A Hosen - Heliyon, 2024 - cell.com
This article explores changes in the structural, electronic, elastic, and optical properties of
the novel cubic Sr 3 BCl 3 (B= As, Sb) with increasing pressure. This research aims to …
the novel cubic Sr 3 BCl 3 (B= As, Sb) with increasing pressure. This research aims to …
Computational study of inorganic halide cubic perovskite KMnX3 (X= Cl, Br) for energy harvesting applications
Nowadays, halide perovskites being an exciting class of materials with bountiful features
have gained enormous research focus (theoretical and experimental) by the scientists …
have gained enormous research focus (theoretical and experimental) by the scientists …
Exploring KGeCl3 material for perovskite solar cell absorber layer through different machine learning models
The existing designs of perovskite based solar cells frequently encounter issues with poor
photovoltaic (PV) performance and stability issues. In this study, to address above issues …
photovoltaic (PV) performance and stability issues. In this study, to address above issues …
Pressure-induced band gap engineering and enhanced optoelectronic properties of non-toxic Ca-based perovskite CsCaCl3: Insights from density functional theory
Z Jellil, H Ez-Zahraouy - Computational Condensed Matter, 2024 - Elsevier
This study investigates the impact of hydrostatic pressure on the structural, electronic,
optical, and mechanical properties of the cubic halide perovskite CsCaCl 3. The pressure …
optical, and mechanical properties of the cubic halide perovskite CsCaCl 3. The pressure …
[HTML][HTML] A comparative study of the structural, mechanical, electronic, and optical properties of lead-free cubic AGeX3 (A= Cs, K, and Rb; X= Cl, Br, and I) perovskites …
M Asrafusjaman, MA Khatun, E Mahfuj, M Hasan… - Results in Physics, 2024 - Elsevier
In this study, a comparative analysis of the structural, mechanical, electronic, and optical
properties of cubic perovskites AGeX 3 (A= Cs, K, and Rb; X= Cl, Br, and I) has been …
properties of cubic perovskites AGeX 3 (A= Cs, K, and Rb; X= Cl, Br, and I) has been …
[HTML][HTML] Computational study on structural, elastic, mechanical and optical properties of K2AgAs ternary semiconductor compound
In this study, the structural, electronic, elastic, mechanical, and optical properties of a new
Zintl phase K 2 AgAs ternary semiconductor compound have been investigated by the first …
Zintl phase K 2 AgAs ternary semiconductor compound have been investigated by the first …
First principles calculations of double perovskite RbX2Y3O10 (X= Ca, Ba: YCd, Ta) materials for photocatalytic applications
Production of oxygen and hydrogen energy through suited photocatalysts by water splitting
is the main issue in the modern age. In this regard, the double perovskite Dion-Jacobson …
is the main issue in the modern age. In this regard, the double perovskite Dion-Jacobson …
[HTML][HTML] AB-INITIO study of electronic, mechanical, optical and thermoelectric properties of KGeCl3 for photovoltaic application
MES Sarhani, T Dahame, ML Belkhir, B Bentria… - Heliyon, 2023 - cell.com
In this theoretical study, the potential of KGeCl 3 was investigated as a lead-free perovskite
active layer for perovskite solar cells. Calculations of the structural, electronic, elastic, optic …
active layer for perovskite solar cells. Calculations of the structural, electronic, elastic, optic …
Analysis of the structural, electronic, optical and mechanical properties of CsGeI2Br under tensile and compressive strain for optoelectronic applications: A DFT …
In this work, the impact of triaxial strain on the structural, optoelectronic and mechanical
properties of CsGeI₂Br is thoroughly investigated, with a particular emphasis on its …
properties of CsGeI₂Br is thoroughly investigated, with a particular emphasis on its …
Optical response of Zr2CO2/MoS2 van der Waals heterostructures calculated using first-principles calculations
H Aziz, TA Shah, AU Rahman, N Jabeen… - Materials Science in …, 2024 - Elsevier
In the field of material science, the search for a material with an optimal bandgap of
approximately 1.40 eV that can act as an efficient photocatalyst for water splitting using solar …
approximately 1.40 eV that can act as an efficient photocatalyst for water splitting using solar …