From lead halide perovskites to lead‐free metal halide perovskites and perovskite derivatives

Z ** sustainable, high-performance perovskites in photocatalysis: design strategies and applications
H Mai, D Chen, Y Tachibana, H Suzuki, R Abe… - Chemical Society …, 2021 - pubs.rsc.org
Solar energy is attractive because it is free, renewable, abundant and sustainable.
Photocatalysis is one of the feasible routes to utilize solar energy for the degradation of …

The study optical, thermoelectric, and thermodynamic properties of double perovskites K2CuBiX6 (X= Cl, Br, I) for energy harvesting

H Albalawi, SA Rouf, T Zelai, NA Kattan… - Materials Science and …, 2023 - Elsevier
The double perovskites are promising aspirants for renewable energy applications. In
present article, optoelectronic, thermoelectric, and thermodynamic characteristics are …

The Role of Goldschmidt's Tolerance Factor in the Formation of A2BX6 Double Halide Perovskites and its Optimal Range

AE Fedorovskiy, NA Drigo, MK Nazeeruddin - Small Methods, 2020 - Wiley Online Library
Vacancy‐ordered double perovskites is a new branch of lead‐free halide perovskites with
properties promising for photovoltaic application. In this study, data about the crystal …

Thermoelectric properties of A2BCl6: a first principles study

S Berri - Journal of Physics and Chemistry of Solids, 2022 - Elsevier
Structural parameters, electronic band structures and thermoelectric properties of A 2 BCl 6
(A= Cs, K and B= Se, Sn, Ta, Te, Ti, W, Zr, Mn, Mo, Os, Pd, Pt, Re, Ru, Tc, W) materials at …

Electronic and optical properties of vacancy ordered double perovskites A2BX6 (A = Rb, Cs; B = Sn, Pd, Pt; and X = Cl, Br, I): a first principles study

M Faizan, KC Bhamu, G Murtaza, X He, N Kulhari… - Scientific reports, 2021 - nature.com
The highly successful PBE functional and the modified Becke–Johnson exchange potential
were used to calculate the structural, electronic, and optical properties of the vacancy …

The role of dimensionality on the optoelectronic properties of oxide and halide perovskites, and their halide derivatives

RLZ Hoye, J Hidalgo, RA Jagt… - Advanced Energy …, 2022 - Wiley Online Library
Halide perovskite semiconductors have risen to prominence in photovoltaics and light‐
emitting diodes (LEDs), but traditional oxide perovskites, which overcome the stability …

Ultralow Lattice Thermal Conductivity in Double Perovskite Cs2PtI6: A Promising Thermoelectric Material

M Sajjad, Q Mahmood, N Singh… - ACS applied energy …, 2020 - ACS Publications
We report first-principle calculations of the recently synthesized Pb-free double perovskite
Cs2PtI6, which we found to have the potential to be an excellent thermoelectric material …

DFT exploration of elastic, optoelectronic, and thermoelectric properties of stable and eco-friendly double perovskites Cs2YAuX6 (X= Cl, Br) for green energy …

A Ayyaz, G Murtaza, M Naeem, A Usman… - Journal of Physics and …, 2024 - Elsevier
In the current investigation, we have implemented first-principles calculations to examine the
structural, elastic, electrical, and optical characteristics of Cs 2 YAuX 6 (X= Cl, Br). The …