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 …
progress and technological innovation. Machine learning (ML) technology is rapidly …
Expanding frontiers in materials chemistry and physics with multiple anions
During the last century, inorganic oxide compounds laid foundations for materials synthesis,
characterization, and technology translation by adding new functions into devices previously …
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 …
thermoelectric, and thermodynamic properties of Ca2NaIO6 and Sr2NaIO6 double …
Emerging perovskite materials for high density data storage and artificial synapses
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 …
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 …
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
Herein, we have presented systematic DFT calculations for physical properties of barium-
based periodate double perovskite oxides Ba2AgIO6 and Ba2NaIO6 in cubic phase. Our …
based periodate double perovskite oxides Ba2AgIO6 and Ba2NaIO6 in cubic phase. Our …
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 …
light-active photocatalysts for water splitting and CO 2 reduction and as thermoelectric …
High‐pressure synthesis of manganese oxyhydride with partial anion order
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 …
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 …
access new oxynitrides, by conducting ammonolysis of perovskite oxyhydride EuTiO3–x H x …