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Towards the object-oriented design of active hydrogen evolution catalysts on single-atom alloys

Given a desired property, locating relevant materials is always highly desired but very challenging in a range of areas, including heterogeneous catalysis. Obviously, object-oriented design/screening is an ideal solution to this problem. Herein, we develop an inverse catalyst design workflow in Pyth...

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Detalles Bibliográficos
Autores principales:	Zhou, Chuan, Zhao, Jia Yue, Liu, Peng Fei, Chen, Jianfu, Dai, Sheng, Yang, Hua Gui, Hu, P., Wang, Haifeng
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2021
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8356813/ https://www.ncbi.nlm.nih.gov/pubmed/34447556 http://dx.doi.org/10.1039/d1sc01018b

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