Machine learning for perovskite materials design and discovery

Q Tao, P Xu, M Li, W Lu - Npj computational materials, 2021 - nature.com
The development of materials is one of the driving forces to accelerate modern scientific
progress and technological innovation. Machine learning (ML) technology is rapidly …

Expanding frontiers in materials chemistry and physics with multiple anions

H Kageyama, K Hayashi, K Maeda, JP Attfield… - Nature …, 2018 - nature.com
During the last century, inorganic oxide compounds laid foundations for materials synthesis,
characterization, and technology translation by adding new functions into devices previously …

Modeling and simulation of multifaceted properties of X2NaIO6 (X = Ca and Sr) double perovskite oxides for advanced technological applications

JK Bairwa, M Rani, PK Kamlesh, R Singh… - Journal of Molecular …, 2023 - Springer
Context In this study, the authors have investigated the structural, optoelectronic,
thermoelectric, and thermodynamic properties of Ca2NaIO6 and Sr2NaIO6 double …

Emerging perovskite materials for high density data storage and artificial synapses

Y Wang, Z Lv, L Zhou, X Chen, J Chen… - Journal of Materials …, 2018 - pubs.rsc.org
Since the discovery of perovskite materials with the general chemical formula ABX3 in 1839,
research on perovskite materials has drawn exponentially greater attention, owing to their …

Metal oxynitrides as emerging materials with photocatalytic and electronic properties

A Fuertes - Materials Horizons, 2015 - pubs.rsc.org
Oxynitrides of transition metals, alkaline earth metals and rare earth metals are intensively
investigated as a group of materials to expand and tune the properties of oxides. The …

Physical Properties of Ba2XIO6 (X = Ag, Na) Double Perovskite Oxides for Energy Harvesting Devices

MZ Kazim, M Yaseen, A Ghaffar, IA Bhatti - Arabian Journal for Science …, 2023 - Springer
Herein, we have presented systematic DFT calculations for physical properties of barium-
based periodate double perovskite oxides Ba2AgIO6 and Ba2NaIO6 in cubic phase. Our …

Synthetic approaches in oxynitride chemistry

A Fuertes - Progress in Solid State Chemistry, 2018 - Elsevier
Mixed anion oxides are emerging materials showing a variety of physical and chemical
properties. Among them oxynitrides are widely investigated because of notable …

Nitride tuning of transition metal perovskites

A Fuertes - APL Materials, 2020 - pubs.aip.org
Transition metal perovskite oxynitrides are emergent materials for applications as visible
light-active photocatalysts for water splitting and CO 2 reduction and as thermoelectric …

High‐pressure synthesis of manganese oxyhydride with partial anion order

C Tassel, Y Goto, D Watabe, Y Tang… - Angewandte Chemie …, 2016 - Wiley Online Library
The high‐pressure synthesis of a manganese oxyhydride LaSrMnO3. 3H0. 7 is reported.
Neutron and X‐ray Rietveld analyses showed that this compound adopts the K2NiF4 …

Topochemical Nitridation with Anion Vacancy-Assisted N3–/O2– Exchange

R Mikita, T Aharen, T Yamamoto, F Takeiri… - Journal of the …, 2016 - ACS Publications
We present how the introduction of anion vacancies in oxyhydrides enables a route to
access new oxynitrides, by conducting ammonolysis of perovskite oxyhydride EuTiO3–x H x …