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 …

g‐C3N4‐Based 2D/2D Composite Heterojunction Photocatalyst

B Zhu, B Cheng, J Fan, W Ho, J Yu - Small Structures, 2021 - Wiley Online Library
Employing semiconductor photocatalysis to transform solar energy into chemical energy
provides a practicable strategy for the alleviation of energy and environmental crisis …

Hydrothermal synthesis of Z-scheme Bi2WO6/Bi2MoO6 heterojunctions for the enhanced photoelectrocatalytic performance of TiO2 NTs: structure, activity and …

K Wang, Q Wang, Y Zhao, Z Zhang, S Liao, Y Deng… - Fuel, 2023 - Elsevier
In this paper, the direct Z-scheme Bi 2 WO 6-Bi 2 MoO 6 heterojunctions were constructed by
the simple hydrothermal deposition on TiO 2 nanotube arrays (TiO 2 NTs). The results …

Enhancing the electronic properties of TiO2 nanoparticles through carbon doping: An integrated DFTB and computer vision approach

M Kurban, C Polat, E Serpedin, H Kurban - Computational Materials …, 2024 - Elsevier
In this study, an innovative approach is explored that combines Density Functional Tight
Binding (DFTB) with Computer Vision (CV) techniques to analyze the electronic structure …

Machine Learning for Chemical Looping: Recent Advances and Prospects

Y Song, S Teng, D Fang, Y Lu, Z Chen, R Xiao… - Energy & …, 2024 - ACS Publications
Chemical looping is a revolutionary energy conversion method aimed at the low-carbon
transformation of fossil fuels. The development of this technology primarily involves the …

Combination of ensemble machine learning models in photocatalytic studies using nano TiO2-Lignin based biochar

KC Abhayasimha, CS Rao, V Nair - Chemosphere, 2024 - Elsevier
Synergizing photocatalytic reactions with machine learning methods can effectively optimize
and automate the remediation of pollutants. In this work, commercial Degussa TiO 2 …

Machine learning aided design of Bi2WO6/MIL-53 (Al) nanocomposites

X Zhai, M Chen - Computational Materials Science, 2024 - Elsevier
It is a very rewarding work to quickly develop a new type of visible-light photocatalyst Bi 2
WO 6/MIL-53 (Al)(BWO/MIL) nanocomposites with desired property in enormous material …