Machine learning: accelerating materials development for energy storage and conversion

A Chen, X Zhang, Z Zhou - InfoMat, 2020 - Wiley Online Library
With the development of modern society, the requirement for energy has become
increasingly important on a global scale. Therefore, the exploration of novel materials for …

Computational functionality‐driven design of semiconductors for optoelectronic applications

Z Liu, G Na, F Tian, L Yu, J Li, L Zhang - InfoMat, 2020 - Wiley Online Library
The rapid development of the semiconductor industry has motivated researchers passion for
accelerating the discovery of advanced optoelectronic materials. Computational functionality …

Enhancing the photocatalytic activity of Ruddlesden-Popper Sr2TiO4 for hydrogen evolution through synergistic silver doping and moderate reducing pretreatment

H Xiao, P Liu, W Wang, R Ran, W Zhou, Z Shao - Materials Today Energy, 2022 - Elsevier
The photocatalytic hydrogen (H 2) generation relies heavily on the properties of
photocatalysts, including their light absorption, charge transport, and oxygen vacancy of …

Structurally tunable two-dimensional layered perovskites: from confinement and enhanced charge transport to prolonged hot carrier cooling dynamics

AO El-Ballouli, OM Bakr… - The journal of physical …, 2020 - ACS Publications
Two-dimensional (2D) layered metal halide perovskites are potential alternatives to three-
dimensional perovskites in optoelectronic applications owing to their improved …

Temperature dependent negative permittivity in solid solutions Sr2Mn1-xSnxO4 (x= 0, 0.3, 0.5)

G Nirala, D Yadav, T Katheriya, S Upadhyay - Journal of the European …, 2022 - Elsevier
A few compositions of the system Sr 2 Mn 1-x Sn x O 4 (x= 0.0, 0.3, 0.5) were synthesized in
the air by the solid-state ceramic route. A change in the sign (positive to negative) of the …

Variation of the electrocatalytic activity of isostructural oxides Sr 2 LaFeMnO 7 and Sr 2 LaCoMnO 7 for hydrogen and oxygen-evolution reactions

CCW Kananke-Gamage, F Ramezanipour - Dalton Transactions, 2021 - pubs.rsc.org
The effect of the electronic configurations of transition metals on electrocatalytic activity,
charge transport, and magnetic properties is demonstrated through the investigation of …

High-throughput computational screening of oxide double perovskites for optoelectronic and photocatalysis applications

X Jiang, WJ Yin - Journal of Energy Chemistry, 2021 - Elsevier
Oxide double perovskites A 2 B′ B′′ O 6 are a class of emerging materials in the fields of
optoelectronics and catalysis. Due to the chemical flexibilities of perovskite structures, there …

Relating the structure, properties, and activities of nanostructured SrTiO 3 and SrO–(SrTiO 3) n (n= 1 and 2) for photocatalytic hydrogen evolution

A Vijay, K Bairagi, S Vaidya - Materials Advances, 2022 - pubs.rsc.org
This study focuses on relating the structure of perovskite oxides with their properties and
activities and provides a comparative study of the three members of the Sr–Ti–O system for …

Knowledge-reused transfer learning for molecular and materials science

A Chen, Z Wang, KLL Vidaurre, Y Han, S Ye… - Journal of Energy …, 2024 - Elsevier
Leveraging big data analytics and advanced algorithms to accelerate and optimize the
process of molecular and materials design, synthesis, and application has revolutionized the …

Quantitative Evaluation of the Carrier Separation Performance of Heterojunction Photocatalysts: The Case of gC3N4/SrTiO3

F Bian, X Wu, Z Yang, S Shao, X Meng… - The Journal of Physical …, 2023 - ACS Publications
Heterojunction photocatalysts are of great interest in the energy and environmental fields,
because of their potential to significantly increase the efficiency of harvesting solar energy …