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Materials-Genome Approach to Energetic Materials
Accounts of Materials Research ( IF 14.0 ) Pub Date : 2021-08-23 , DOI: 10.1021/accountsmr.1c00063 Wen-Li Yuan 1 , Ling He 1 , Guo-Hong Tao 1 , Jean’ne M. Shreeve 2
Accounts of Materials Research ( IF 14.0 ) Pub Date : 2021-08-23 , DOI: 10.1021/accountsmr.1c00063 Wen-Li Yuan 1 , Ling He 1 , Guo-Hong Tao 1 , Jean’ne M. Shreeve 2
Affiliation
Made available for a limited time for personal research and study only License. Figure 1. Research and development progress of energetic materials. Figure 2. Steps for constructing the genome approach of energetic materials, including (a) constructing the CHNO based energetic materials database for molecular screening; (b) establishing screening indexes of the specific impulse on the element content of propellants; (c) training data set on the heat of explosion of energetic molecules; (d) learning curves on predicting the detonation velocity of energetic molecules; (e) theoretical ESP analysis of energetic molecules. Modified and adapted with permission from refs (20), (21), (22), and (23). Copyright 2020 American Chemical Society, copyright 2018 Nature Publishing Group, and copyright 2020 American Association for the Advancement of Science. Figure 3. Energetic materials genome approach guides experimental synthesis. (a) Structure and packing properties of insensitive high explosive 5-nitro-2,4,6-triaminopyrimidine-1,3-di-N-oxide. (b) Crystal structure, molecular orbital, and droplet test of 5-(1-methylhydrazinyl)tetrazolate ionic liquids. Modified and adapted with permission from refs (22) and (23). Copyright 2018 Nature Publishing Group and copyright 2020 American Association for the Advancement of Science. Wen-Li Yuan received a B.A. in chemistry at Sichuan University and a Ph.D. in physical chemistry at Sichuan University. His research focuses on the designation and application of ionic functional materials in energetic materials. Ling He received a B.A. in chemistry at Sichuan University and a Ph.D. in physical chemistry at Peking University. She was a postdoctoral fellow with Prof. Jean’ne M. Shreeve in the University of Idaho (2008–2010) and a visiting scholar at the University of Colorado, Boulder (2018–2019). She started her independent career as an associate professor in Sichuan University in 2010. Her main research interests are the genome of ionic functional materials and the construction of organic porous materials in application of environment and energy. Guo-Hong Tao received a B.A. in chemistry at Lanzhou University and a Ph.D. in physical chemistry at Peking University. He completed the postdoctoral research in the team of Prof. Jean’ne M. Shreeve at the University of Idaho and has been a principal investigator in Sichuan University since 2010. He is currently a professor in the College of Chemistry, Sichuan University. He is mainly devoted to the basic and applied research of ionic liquids. Jean’ne M. Shreeve is a Montana native. She received a B.A. in chemistry at the University of Montana, an M.S. in analytical chemistry at the University of Minnesota, and a Ph.D. in inorganic chemistry at the University of Washington, Seattle. She has been at the University of Idaho since 1961 where she has served as chemistry department head and vice president for research and graduate studies. In 2011, Shreeve was named a University Distinguished Professor. Her research interests include the design, syntheses, characterization, and reactions of energetic materials, and fluorine-containing compounds. This work was supported by the National Natural Science Foundation of China (21876120) and the Fundamental Research Funds for the Central Universities (20826041D4117). This article references 25 other publications.
更新日期：2021-09-24
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