Rapid Design of Efficient Mn3O4‐Based Photocatalysts by Machine Learning and Density Functional Theory Calculations

Rapid Design of Efficient Mn3O4‐Based Photocatalysts by Machine Learning and Density Functional Theory Calculations

The development of efficient photocatalysts for visible‐light‐driven pollutant degradation contributes to sustainable and green solutions to environmental challenges. However, optimizing catalyst composition and structure remains a costly and time‐consuming process. Here, a comprehensive design stra...

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Bibliographic Details
Main Authors: Haoxin Mai, Xuying Li, Tu C. Le, Salvy P. Russo, David A. Winkler, Dehong Chen, Rachel A. Caruso
Format: Article
Language:English
Published: Wiley-VCH 2025-07-01
Series:Advanced Energy & Sustainability Research
Subjects:
density functional theory calculations
machine learning
Mn3O4
photocatalyst design
water purification
Online Access:https://doi.org/10.1002/aesr.202400397
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https://doi.org/10.1002/aesr.202400397

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