Machine learning for electrocatalyst and photocatalyst design and discovery

H Mai, TC Le, D Chen, DA Winkler… - Chemical …, 2022 - ACS Publications
Electrocatalysts and photocatalysts are key to a sustainable future, generating clean fuels,
reducing the impact of global warming, and providing solutions to environmental pollution …

A critical review of machine learning of energy materials

C Chen, Y Zuo, W Ye, X Li, Z Deng… - Advanced Energy …, 2020 - Wiley Online Library
Abstract Machine learning (ML) is rapidly revolutionizing many fields and is starting to
change landscapes for physics and chemistry. With its ability to solve complex tasks …

Homomeric chains of intermolecular bonds scaffold octahedral germanium perovskites

A Morteza Najarian, F Dinic, H Chen, R Sabatini… - Nature, 2023 - nature.com
Perovskites with low ionic radii metal centres (for example, Ge perovskites) experience both
geometrical constraints and a gain in electronic energy through distortion; for these reasons …

[HTML][HTML] Roadmap on organic–inorganic hybrid perovskite semiconductors and devices

L Schmidt-Mende, V Dyakonov, S Olthof, F Ünlü… - Apl Materials, 2021 - pubs.aip.org
Metal halide perovskites are the first solution processed semiconductors that can compete in
their functionality with conventional semiconductors, such as silicon. Over the past several …

New tolerance factor to predict the stability of perovskite oxides and halides

CJ Bartel, C Sutton, BR Goldsmith, R Ouyang… - Science …, 2019 - science.org
Predicting the stability of the perovskite structure remains a long-standing challenge for the
discovery of new functional materials for many applications including photovoltaics and …

[HTML][HTML] A perspective on conventional high-temperature superconductors at high pressure: Methods and materials

JA Flores-Livas, L Boeri, A Sanna, G Profeta, R Arita… - Physics Reports, 2020 - Elsevier
Two hydrogen-rich materials, H 3 S and LaH 10, synthesized at megabar pressures, have
revolutionized the field of condensed matter physics providing the first glimpse to the …

Rare-earth-containing perovskite nanomaterials: design, synthesis, properties and applications

Z Zeng, Y Xu, Z Zhang, Z Gao, M Luo, Z Yin… - Chemical Society …, 2020 - pubs.rsc.org
As star material, perovskites have been widely used in the fields of optics, photovoltaics,
electronics, magnetics, catalysis, sensing, etc. However, some inherent shortcomings, such …

Chalcogenide perovskites: tantalizing prospects, challenging materials

KV Sopiha, C Comparotto, JA Márquez… - Advanced Optical …, 2022 - Wiley Online Library
Chalcogenide perovskites have recently emerged into the spotlight as highly robust, earth
abundant, and nontoxic candidates for various energy conversion applications, not least …

Recent Advances in CsPbX3 Perovskite Solar Cells: Focus on Crystallization Characteristics and Controlling Strategies

S Yang, Y Duan, Z Liu, S Liu - Advanced Energy Materials, 2023 - Wiley Online Library
Abstract All‐inorganic CsPbX3 (X= I, Br, Cl or their mixtures) perovskites attract enormous
attention in recent years due to their excellent optoelectronic properties, outstanding …

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 …