As a new class of materials with excellent properties, high-entropy materials
(HEMs) have attracted wide interests, in the scientific community owing to their excellent
catalytic potential and corrosion resistance. Most traditional studies on high-entropy
catalysts are carried out independently, based on existing knowledge systems, which are
incompatible and cannot be merged. This has hindered subsequent research and development
of better catalysts. Machine learning (ML), as a new strategy to establish mathematical
models and conduct research and reasoning based on large data sets, is gradually
becoming a branch of artificial intelligence science. The establishment of large databases
through ML can effectively transform the traditional research landscape and considerably improve research efficiency. ML can be employed to identify quantitative compositionstructure-performance
relationships, providing a novel approach to accelerate the design
of electrocatalysts by learning from historical data without explicit programming. This
review introduces ML algorithms and HEMs, and it describes and analyses the application
of ML in the design of high-entropy electrocatalysts. Finally, the prospects of ML in the
screening and prediction of electrocatalysts are discussed and summarised.
ZONG Yuyang , LI Junhui , ZHU Xiangdong , SHAN Guangcun , MA Ruguang
. Advances on machine learning used for high-entropy
electrocatalysts [J]. Journal of Shanghai University, 2023
, 29(5)
: 859
-885
.
DOI: 10.12066/j.issn.1007-2861.2528