Halide perovskite materials for solar cells: a theoretical review

WJ Yin, JH Yang, J Kang, Y Yan, SH Wei - Journal of Materials …, 2015 - pubs.rsc.org
Halide perovskites have recently emerged as promising materials for low-cost, high-
efficiency solar cells. The efficiency of perovskite-based solar cells has increased rapidly …

Structural, optoelectronic and thermoelectric properties of Cs-based fluoroperovskites CsMF3 (M= Ge, Sn or Pb)

Y Selmani, H Labrim, M Mouatassime… - Materials Science in …, 2022 - Elsevier
The structural and optoelectronic properties of Cs-based fluoroperovskites CsMF 3 (M= Ge,
Sn or Pb) were studied using the generalized gradient approximation of Perdew-burke …

Investigation of structural, electronic, elastic and optical properties of Ge-halide perovskites NaGeX3 (X= Cl, Br and I): A first-principles DFT study

RK Pingak, S Bouhmaidi, L Setti - Physica B: Condensed Matter, 2023 - Elsevier
Lead-free perovskites are among materials that are currently most investigated for their
potential application in photovoltaic and optoelectronic applications due to their non-toxic …

Superior photovoltaic properties of lead halide perovskites: insights from first-principles theory

WJ Yin, T Shi, Y Yan - The Journal of Physical Chemistry C, 2015 - ACS Publications
Organic–inorganic methylammonium lead halide perovskites have recently emerged as
promising solar photovoltaic absorbers. In this Feature Article, we review our theoretical …

A comprehensive theoretical study of halide perovskites ABX3

J Qian, B Xu, W Tian - Organic Electronics, 2016 - Elsevier
Solar cells based on halide perovskites have recently been attractive due to their excellent
power conversion efficiency (PCE), lower cost and simple manufacture. Here, a series of …

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 Pingak, 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) …

[PDF][PDF] Recent advances in high-efficiency perovskite for medical sensors

S Yang, Y Xu, Z Hao, S Qin, R Zhang, Y Han… - Acta Phys.-Chim …, 2023 - scholar.archive.org
Perovskite materials have considerable potential in medical sensors. This is because the
diverse element substitution of the perovskite ABX3 composition brings rich physical and …

A DFT study of structural and electronic properties of cubic thallium based fluoroperovskites TlBF3 (BGe, Sn, Pb, Zn, Cd, Hg, Mg, Ca, Sr, Ba)

RK Pingak - Computational Condensed Matter, 2022 - Elsevier
This study aims to use Density Functional Theory (DFT) to investigate structural and
electronic properties of cubic fluoroperovskites TlBF 3 (B= Ge, Sn, Pb, Zn, Cd, Hg, Mg, Ca …

Band gap engineering in halide cubic perovskites CsPbBr3− yIy (y= 0, 1, 2, 3)–A DFT study

R Rajeswarapalanichamy, A Amudhavalli… - Materials Science and …, 2020 - Elsevier
The halide perovskites based solar cells have been attractive due to their excellent power
conversion efficiency and low cost. The structural properties of lead based cesium halide …

Energy gap-refractive index relations in perovskites

A Lamichhane, NM Ravindra - Materials, 2020 - mdpi.com
In this study, the energy gap-refractive index relations of perovskites are examined in detail.
In general, the properties of perovskites are dependent on the structural reorganization and …