Theory-oriented screening and discovery of advanced energy transformation materials in electrocatalysis

Theory-oriented screening and discovery of advanced energy transformation materials in electrocatalysis

Various metal-based electrocatalysts from nanocrystals, to clusters and single-atoms, have been well-discovered towards high-efficient power devices and electrocatalytic conversion. To accelerate energy transformation materials discovery, developing high-throughput DFT calculations and machine-learn...

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Bibliographic Details
Main Authors: Hongyu Jing, Peng Zhu, Xiaobo Zheng, Zedong Zhang, Dingsheng Wang, Yadong Li
Format: Article
Language:English
Published: KeAi Communications Co. Ltd. 2022-01-01
Series:Advanced Powder Materials
Subjects:
Theory-guided design
Reaction mechanism
Metal-based catalysts synthesis
Power devices
Electrocatalytic conversion
Online Access:http://www.sciencedirect.com/science/article/pii/S2772834X21000130

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http://www.sciencedirect.com/science/article/pii/S2772834X21000130

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