Rational design of heterogeneous catalysts by breaking and rebuilding scaling relations
Review|Updated:2026-01-06
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Rational design of heterogeneous catalysts by breaking and rebuilding scaling relations
Rational design of heterogeneous catalysts by breaking and rebuilding scaling relations
中国化学工程学报(英文版)2022年41卷第1期 页码:22-28
Affiliations:
State Key Laboratory of Chemical Engineering, School of Chemical Engineering, East China University of Science and Technology,Shanghai,China,200237
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纸质出版:2022
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Wei-Qi Yan, Yi-An Zhu, Xing-Gui Zhou, 等. Rational design of heterogeneous catalysts by breaking and rebuilding scaling relations[J]. 中国化学工程学报(英文版), 2022,41(1):22-28.
Wei-Qi Yan, Yi-An Zhu, Xing-Gui Zhou, Wei-Kang Yuan. Rational design of heterogeneous catalysts by breaking and rebuilding scaling relations[J]. Chinese Journal of Chemical Engineering, 2022, 41(1): 22-28.
Wei-Qi Yan, Yi-An Zhu, Xing-Gui Zhou, 等. Rational design of heterogeneous catalysts by breaking and rebuilding scaling relations[J]. 中国化学工程学报(英文版), 2022,41(1):22-28.DOI:
Wei-Qi Yan, Yi-An Zhu, Xing-Gui Zhou, Wei-Kang Yuan. Rational design of heterogeneous catalysts by breaking and rebuilding scaling relations[J]. Chinese Journal of Chemical Engineering, 2022, 41(1): 22-28.DOI:
Rational design of heterogeneous catalysts by breaking and rebuilding scaling relations
Various scaling relations have long been established in the field of heterogeneous catalysis
but the resultant volcano curves inherently limit the catalytic performance of catalyst candidates. On the other hand
it is still very challenging to develop universal descriptors that can be used in various types of catalysts and reaction systems. For these reasons
several strategies have recently been proposed to break and rebuild scaling relations to go beyond the top of volcanoes. In this review
some previously proposed descriptors have been briefly introduced. Then
the strategies for breaking known and establishing new and more generalized scaling relations in complex catalytic systems have been summarized. Finally
the application of machine-learning techniques in identifying universal descriptors for future computational design and high-throughput screening of heterogeneous catalysts has been discussed.
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Hongliang Xin
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Virginia Polytechnic Institute and State University, Blacksburg
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