Results 21 to 30 of about 8,791 (262)

Machine learning bandgaps of double perovskites [PDF]

Scientific Reports, 2016
AbstractThe ability to make rapid and accurate predictions on bandgaps of double perovskites is of much practical interest for a range of applications. While quantum mechanical computations for high-fidelity bandgaps are enormously computation-time intensive and thus impractical in high throughput studies, informatics-based statistical learning ...
G. Pilania, A. Mannodi-Kanakkithodi, B. P. Uberuaga, R. Ramprasad, J. E. Gubernatis, T. Lookman   +5 more
openaire   +2 more sources

Two-Dimensional Halide Pb-Perovskite–Double Perovskite Epitaxial Heterostructures

Journal of the American Chemical Society, 2023
Epitaxial heterostructures of two-dimensional (2D) halide perovskites offer a new platform for studying intriguing structural, optical, and electronic properties. However, difficulties with the stability of Pb- and Sn-based heterostructures have repeatedly slowed the progress.
Singh, Ajeet, Yuan, Biao, Rahman, Md. Habibur, Yang, Hanjun, De, Angana, Park, Jee Yung, Zhang, Shuchen, Huang, Libai, Mannodi-Kanakkithodi, Arun, Pennycook, Timothy J., Dou, Letian   +10 more
openaire   +3 more sources

Numerical Analysis of Stable (FAPbI₃)_0.85(MAPbBr₃)_0.15-Based Perovskite Solar Cell with TiO₂/ZnO Double Electron Layer

Nanomaterials, 2023
Although perovskite solar cells have achieved excellent photoelectric conversion efficiencies, there are still some shortcomings, such as defects inside and at the interface as well as energy level dislocation, which may lead to non-radiative ...
Yongjin Gan, Guixin Qiu, Binyi Qin, Xueguang Bi, Yucheng Liu, Guochao Nie, Weilian Ning, Ruizhao Yang   +7 more
doaj   +1 more source

Mathematical modeling of the perovskite and double perovskite crystal structures

Izvestiya Vysshikh Uchebnykh Zavedenii. Materialy Elektronnoi Tekhniki = Materials of Electronics Engineering, 2022
The paper considers the problem of modeling materials with the crystal structure of perovskite and double perovskite. Due to the high complexity of obtaining micro- and nanoscale objects, data on the structure and properties of such materials are especially important.
openaire   +1 more source

Multiferroic Compounds with Double-Perovskite Structures [PDF]

Materials, 2011
New multiferroic compounds with double-perovskite structures were synthesized. Bi2NiMnO6 was synthesized in bulk form by high-pressure synthesis and also in a thin-film form by epitaxial growth. The material showed both ferromagnetic and ferroelectric properties, i.e., the multiferroic property at low temperature.
Shimakawa, Yuichi, Azuma, Masaki, Ichikawa, Noriya   +2 more
openaire   +2 more sources

Chemical tuning of a double double perovskite oxide [PDF]

Chemical Communications
Chemical tuning has been demonstrated for the first time in a double double perovskite. Ordering over five cation sites is preserved in LaxCa1−xMnMnReO6 ferrimagnets up to x ≥ 0.5 while La3+/Ca2+ substitution tunes magnetic properties.
Azizah Almadhi, Sean D. Injac, Kunlang Ji, Clemens Ritter, J. Paul Attfield   +4 more
openaire   +3 more sources

Magnetic model for the ordered double perovskites [PDF]

Physical Review B, 2009
12 pages latex, 10 ...
Sanyal, Prabuddha, Majumdar, Pinaki
openaire   +2 more sources

Chemical Mapping of Excitons in Halide Double Perovskites

Nano Letters, 2023
Halide double perovskites are an emerging class of semiconductors with tremendous chemical and electronic diversity. While their bandstructure features can be understood from frontier-orbital models, chemical intuition for optical excitations remains incomplete. Here, we use \textit{ab initio} many-body perturbation theory within the $GW$ and the Bethe-
Biega, R-I, Chen, Y, Filip, MR, Leppert, L   +3 more
openaire   +4 more sources

Room-temperature synthesis of lead-free copper(I)-antimony(III)-based double perovskite nanocrystals

APL Materials, 2023
In the field of perovskite solar cells, explorations of new lead-free all-inorganic perovskite materials are of great interest to address the instability and toxicity issues of lead-based hybrid perovskites.
Shizhe Wang, Dan Han, Clément Maheu, Zehua Xu, Alexander Biewald, Hannah Illner, Rik Hooijer, Thomas Mayer, Achim Hartschuh, Hubert Ebert, Thomas Bein   +10 more
doaj   +1 more source

Highly Controllable Synthesis and DFT Calculations of Double/Triple-Halide CsPbX₃ (X = Cl, Br, I) Perovskite Quantum Dots: Application to Light-Emitting Diodes

Nanomaterials, 2019
Although all-inorganic CsPbX3 (X = Cl, Br, I) perovskite quantum dots (PQDs) have evoked exciting new opportunities for optoelectronic applications due to their remarkable optical properties, their emission color tunability has not been investigated to ...
Xinyue Lao, Xiyu Li, Hans Ågren, Guanying Chen   +3 more
doaj   +1 more source