Investigation of photovoltaic performance of lead-free CsSnI3-based perovskite solar cell with different hole transport layers: First Principle Calculations and SCAPS …

BK Ravidas, MK Roy, DP Samajdar - Solar Energy, 2023 - Elsevier
Perovskite solar cells (PSCs) are getting maximum consideration among the research
community because of the abrupt rise in their power conservation efficiency (PCE) to 25.5 …

First-principles investigations of Na2CuMCl6 (M= Bi, Sb) double perovskite semiconductors: materials for green technology

S Al-Qaisi, M Mushtaq, S Alomairy, TV Vu… - Materials Science in …, 2022 - Elsevier
Investigations of stable lead-free perovskites have ignited an increasing interest in
overcoming lead-based perovskites' instability and toxicity problems. This study thoroughly …

Tuning band gap and enhancing optical functions of AGeF3 (A = K, Rb) under pressure for improved optoelectronic applications

MS Alam, M Saiduzzaman, A Biswas, T Ahmed… - Scientific Reports, 2022 - nature.com
The current study diligently analyzes the physical characteristics of halide perovskites
AGeF3 (A= K, Rb) under hydrostatic pressure using density functional theory. The goal of …

Electronic, optical and thermoelectric properties of the CsMF3 (M= Si or Ge) fluoro-perovskites

Y Selmani, H Labrim, S Ziti, L Bahmad - Computational Condensed Matter, 2022 - Elsevier
In this paper, the structural, electronic and optical properties of inorganic fluoroperovskites
CsMF 3 (M= Si or Ge) are investigated by using the density functional theory calculations …

RbSnX 3 (X= Cl, Br, I): promising lead-free metal halide perovskites for photovoltaics and optoelectronics

MH Rahman, M Jubair, MZ Rahaman, MS Ahasan… - RSC …, 2022 - pubs.rsc.org
Lead (Pb) free metal halide perovskites by atomistic design are of strong interest to
photovoltaics and optoelectronics industries because of the pressing need to resolve Pb …

Ab initio study of structural, elastic, electronic, optical and thermoelectric properties of cubic Ge-based fluoroperovskites AGeF3 (A= K, Rb and Fr)

S Bouhmaidi, RK **ak, A Azouaoui, A Harbi… - Solid State …, 2023 - Elsevier
Structural, elastic, electronic, optical and thermoelectric properties of fluoroperovskites AGeF
3 (A= K, Rb, and Fr) have been investigated using Density Functional Theory (DFT) …

First principles insight into the study of the structural, stability, and optoelectronic properties of alkali‐based single halide perovskite ZSnCl3 (Z = Na/K) materials for …

TA Geleta, D Behera, N Bouri… - Journal of …, 2024 - Wiley Online Library
Metal halide perovskites are crystalline materials with a sharp increase in popularity and
rapidly becoming a major contender for optoelectronic device applications. In this work, we …

[HTML][HTML] First-principles calculations to investigate pressure-driven electronic phase transition of lead-free halide perovskites KMCl3 (M= Ge, Sn) for superior …

O Das, M Saiduzzaman, KM Hossain, IK Shuvo… - Results in Physics, 2023 - Elsevier
This article investigates the physical properties of lead-free tin-and germanium-based halide
perovskites under pressure via the density functional theory to use as potential photovoltaic …

First-principles calculations to explore the metallic behavior of semiconducting lead-free halide perovskites RbSnX3 (X = Cl, Br) under pressure

MA Rashid, M Saiduzzaman, A Biswas… - The European Physical …, 2022 - Springer
The ab initio calculations of structural, electronic, mechanical, and optical properties of
rubidium-based halide perovskites RbSnX3 (X= Cl, Br) have been performed under different …

Numerical analysis of photovoltaic performance in NaSnCl3 and KSnCl3 perovskite absorber layers for solar energy harvesting: SCAPS-1D study

N Bouri, TA Geleta, KW Guji, D Behera… - Materials Today …, 2024 - Elsevier
Lead-free alkali-based tin chloride materials, NaSnCl 3 and KSnCl 3, with cubic structures
are considered promising environmentally friendly alternatives for highly efficient perovskite …