Towards lead-free perovskite photovoltaics and optoelectronics by ab-initio simulations

M Roknuzzaman, K Ostrikov, H Wang, A Du… - Scientific reports, 2017 - nature.com
Lead (Pb) free non-toxic perovskite solar cells have become more important in the
commercialization of the photovoltaic devices. In this study the structural, electronic, optical …

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 …

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 …

First-principles investigations of Ba2NaIO6 double perovskite semiconductor: material for low-cost energy technologies

S Al-Qaisi, MA Ali, TA Alrebdi, TV Vu, M Morsi… - Materials Chemistry and …, 2022 - Elsevier
The investigations on the physical properties of the Ba 2 NaIO 6 double perovskite, in this
work, are presented. These investigations are carried out using WIEN2k computational code …

Structural, elastic and optoelectronic properties of inorganic cubic FrBX 3 (B= Ge, Sn; X= Cl, Br, I) perovskite: the density functional theory approach

N Hasan, M Arifuzzaman, A Kabir - RSC advances, 2022 - pubs.rsc.org
Inorganic metal-halide cubic perovskite semiconductors have become more popular in
industrial applications of photovoltaic and optoelectronic devices. Among various …

[HTML][HTML] TlBX3 (B= Ge, Sn; X= Cl, Br, I): Promising non-toxic metal halide perovskites for scalable and affordable optoelectronics

JK Rony, M Islam, M Saiduzzaman, KM Hossain… - Journal of Materials …, 2024 - Elsevier
Inorganic, non-toxic metal halide perovskites are the benchmark for optoelectronic device
commercialization. Due to their significant importance, the density functional theory-based …

Insight into lead-free organic-inorganic hybrid perovskites for photovoltaics and optoelectronics: A first-principles study

M Roknuzzaman, KK Ostrikov, KC Wasalathilake… - Organic …, 2018 - Elsevier
Semiconducting lead (Pb) free organic-inorganic hybrid perovskites have become more
attractive for possible applications in solar cells and other optoelectronic devices. In this …

Superconducting phases in a remarkable class of metallic ceramics

MA Hadi - Journal of Physics and Chemistry of Solids, 2020 - Elsevier
MAX phases are a large group of nanolaminated carbide and nitride materials of immense
scientific and technological interest. Materials of this class are known as metallic ceramics …

Indirect to direct band gap transition through order to disorder transformation of Cs 2 AgBiBr 6 via creating antisite defects for optoelectronic and photovoltaic …

MA Hadi, MN Islam, J Podder - RSC advances, 2022 - pubs.rsc.org
Non-toxic lead free inorganic metal halide cubic double perovskites have drawn a lot of
attention for their commercial use in optoelectronic and photovoltaic devices. Here we have …

[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 …