A thorough investigation of HTL layers to develop and simulate AgCdF3-based perovskite solar cells
Perovskite photocells are gaining attention mainly because of their special features. The
purpose of this work is to use the SCAPS-1D simulator to model the action of absorbers in …
purpose of this work is to use the SCAPS-1D simulator to model the action of absorbers in …
Electronic structure, mechanical, optical, and thermodynamic characteristics of cubic perovskite LiMgF3 under pressure effect calculated first-principles
N Xu, Y Chen, S Chen, W Zhang, S Li, Z Shi - Physica B: Condensed …, 2023 - Elsevier
Abstract Under pressures of 0–30 GPa, the density functional theory was applied to
investigate the structural, electronic, mechanical, optical and thermodynamic properties of …
investigate the structural, electronic, mechanical, optical and thermodynamic properties of …
[HTML][HTML] Electronic structure, mechanical, optical and thermodynamic properties of cubic perovskite InBeF3 with pressure effects: first-principles calculations
J Zhang, Y Chen, S Chen, J Hou, R Song, ZF Shi - Results in Physics, 2023 - Elsevier
The electronic structure, mechanical, optical and thermodynamic properties of cubic
fluoroperovskite InBeF 3 under high pressure were studied for the first time. The lattice …
fluoroperovskite InBeF 3 under high pressure were studied for the first time. The lattice …
Deep insights into the optoelectronic properties of AgCdF3-based perovskite solar cell using the combination of DFT and SCAPS-1D simulation
The main focus of this research is to explore the properties and photovoltaic application of
AgCdF 3, and hence, initially, the CASTEP software was used in this study to assess the …
AgCdF 3, and hence, initially, the CASTEP software was used in this study to assess the …
First-principles calculations to investigate structural, elastic, mechanical, electronic and optical characteristics of RbSrX3 (X= Cl, Br)
The inorganic cubic perovskites RbSr Cl 3 and RbSr Br 3 have been studied for structural,
phonon, elastic, mechanical, electronic and optical properties using first principles …
phonon, elastic, mechanical, electronic and optical properties using first principles …
Impact of Zn alloying on structural, mechanical anisotropy, acoustic speeds, electronic, optical, and photocatalytic response of KMgF3 perovskite material
A Ayub, HMN Ullah, M Rizwan, AA Zafar… - Materials Science in …, 2024 - Elsevier
This study explores the optoelectronic potential of advanced perovskite materials, with a
primary focus on alloying KMgF 3 with 3d transition metals. Through this alloying process …
primary focus on alloying KMgF 3 with 3d transition metals. Through this alloying process …
First-Principles insights to probe structural and opto-electronic properties of AgYF3 (Y= Mg, Sr) halide perovskites with variety of DFT methods
This study reports the structural, electronic, optical, phonon, thermodynamic and
thermoelectric properties of AgYF 3 (X= Mg, Sr) for photovoltaic and energy applications. We …
thermoelectric properties of AgYF 3 (X= Mg, Sr) for photovoltaic and energy applications. We …
Isotropic pressure induced structural, electronic, photocatalytic, elastic and mechanical properties of RbPbF3: GGA-PBE and HSE03 based computational estimation
The main objective of this study is to present a comprehensive computational analysis, with
Generalized Gradient Approximations (GGA) and Heyd–Scuseria–Ernzerhof (HSE03) …
Generalized Gradient Approximations (GGA) and Heyd–Scuseria–Ernzerhof (HSE03) …
Indirect to direct band gap transition of ABI3 (A= Rb, Cs; B= Ca, Sr) perovskites under hydrostatic pressure for photovoltaic and optoelectronic applications: A DFT …
The objective of this study is to enhance the utilization of ABI 3 (A= Rb, Cs; B= Ca, Sr) metal-
halide perovskites in multiple forms of technological applications by investigating their …
halide perovskites in multiple forms of technological applications by investigating their …
[HTML][HTML] Structural and optoelectronic study of MgLiX3 (X= Cl, Br, and I) halide perovskites: A DFT approach
MS Parves, S Mahmud, M Tarekuzzaman, MA Rayhan… - AIP Advances, 2024 - pubs.aip.org
This article presents in-depth information on the structural and optoelectronic properties of
MgLiX 3 (X= Cl, Br, and I) perovskites, and it suggests that MgLiX 3 perovskites are …
MgLiX 3 (X= Cl, Br, and I) perovskites, and it suggests that MgLiX 3 perovskites are …