MatGPT: A vane of materials informatics from past, present, to future

Z Wang, A Chen, K Tao, Y Han, J Li - Advanced Materials, 2024 - Wiley Online Library
Combining materials science, artificial intelligence (AI), physical chemistry, and other
disciplines, materials informatics is continuously accelerating the vigorous development of …

Feature selection in machine learning for perovskite materials design and discovery

J Wang, P Xu, X Ji, M Li, W Lu - Materials, 2023 - mdpi.com
Perovskite materials have been one of the most important research objects in materials
science due to their excellent photoelectric properties as well as correspondingly complex …

[HTML][HTML] AI-enabled materials discovery for advanced ceramic electrochemical cells

IT Bello, R Taiwo, OC Esan, AH Adegoke, AO Ijaola… - Energy and AI, 2024 - Elsevier
Ceramic electrochemical cells (CECs) are promising devices for clean and efficient energy
conversion and storage due to their high energy efficiency, more extended system durability …

Catalytic enhancement of production of solar thermochemical fuels: opportunities and limitations

JM Coronado, A Bayón - Physical Chemistry Chemical Physics, 2023 - pubs.rsc.org
Solar thermochemical fuels are a promising low-carbon alternative to conventional fossil
fuels, which must be swiftly phased out to mitigate the consequences of climate change …

Effects of S substitution on the structural, optoelectronic, and thermomechanical properties of KTaO3 through density functional theory

H Akter, MM Hossain, MM Uddin, SH Naqib… - Journal of Physics and …, 2024 - Elsevier
Driven by a curiosity of how sulfur (S) alters the physical properties of KTaO 3, we embarked
on a computational journey using the WIEN2k code and the insights of density functional …

Machine Learning‐Accelerated Development of Perovskite Optoelectronics Toward Efficient Energy Harvesting and Conversion

B Chen, R Chen, B Huang - Advanced Energy and …, 2023 - Wiley Online Library
For next‐generation optoelectronic devices with efficient energy harvesting and conversion,
designing advanced perovskite materials with exceptional optoelectrical properties is highly …

Emergence of Perovskite and Hashemite-type phases in chromium doped (Ba0. 90Sr0. 10)(Fe1-xCrx) O3±δ oxides: Formation, Rietveld refinement and Raman …

AK Agrawal, SK Jaiswal - Journal of Alloys and Compounds, 2024 - Elsevier
Perovskite-and Hashemite-type oxides are relevant due to their applications as oxidizing
agent, photocatalyst, nutrient, fuel cells, gas sensors, batteries materials. An attempt has …

[HTML][HTML] A Perovskite Material Screening and Performance Study Based on Asymmetric Convolutional Blocks

S Ji, Y Zhang, Y Huang, Z Yu, Y Zhou, X Lin - Materials, 2024 - mdpi.com
This study introduces an innovative method for identifying high-efficiency perovskite
materials using an asymmetric convolution block (ACB). Our approach involves …

Optoelectronic properties of mechanically stable cubic Niobate compounds under hydrostatic pressure: A systematic DFT investigation

A Zulfiqar, BA Al-Asbahi, MS Arslan, GFB Solre… - Physica B: Condensed …, 2024 - Elsevier
Perovskite oxides, particularly cubic Niobate compounds, have been studied for their
potential application in the development of optoelectronic devices. The mechanical stability …

[HTML][HTML] Substitutional alloying using crystal graph neural networks

D Massa, D Cieśliński, A Naghdi, S Papanikolaou - AIP Advances, 2024 - pubs.aip.org
Materials discovery, especially for applications that require extreme operating conditions,
requires extensive testing that naturally limits the ability to inquire the wealth of possible …