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Accelerating the exploration of Li/Na-ion battery materials via enlarged crystal structure databases

13th International Conference on Advanced Materials and Nanotechnology


Kai-Ming Ho

Iowa State University, USA

ScientificTracks Abstracts: Res. Rev. J Mat. Sci

DOI: 10.4172/2321-6212-C1-008


Material informatics is a new initiative which has attracted a lot of attention in recent scientific research. The basic strategy is to construct comprehensive data sets and use machine learning to solve a wide variety of problems in material design and discovery. In pursuit of this goal, a key element is the quality and completeness of the databases used. Recent advance in the development of crystal structure prediction algorithms has made it a complementary and more efficient approach to explore the structure/phase space in materials using computers. In this talk, we discuss the importance of the structural motifs and motif-networks in crystal structure predictions. Correspondingly, powerful methods are developed to improve the sampling of the low-energy structure landscape. Applications to the Li/Na-ion battery cathode materials, in particular AnFeSiO4 (n=1 and 2; A=Li and Na) and LiFePO4, will be presented. References 1.X Zhao, et al. (2015) Exploration of tetrahedral structures in silicate cathodes using a motif-network scheme. Sci. Rep.; 5: 15555. 2.S Li, et al. (2016) Zero-Strain Na2FeSiO4 as Novel Cathode Material for Sodium-Ion Batteries ACS Appl. Mater. Interfaces; 8(27): 17233-8. 3.P Wu, et al. (2016) Fe-Si networks in Na2FeSiO4 cathode materials. Phys. Chem. Chem. Phys; 18: 23916-22.


Kai-Ming Ho has completed his PhD from University of California, Berkeley. He is currently a Distinguished Professor in Liberal Arts and Sciences at Iowa State University and a Fellow of American Physical Society. helps to translate Spanish to English and English to Spanish for free. kullanarak 100'den fazla dil ciftinde hemen ceviriler yapabilirsiniz.ingilizce turkce ceviri helps to translate English to Spanish to English for free. ingilizce turkce ceviri, turkce ingilizce ceviri, ingilizce turkce cumle ceviri, ingililizceyi turkceye ceviri ve turkceyi ingilizceye ceviri gibi tum dillerde dogru ceviri hizmetleri sunuyor. kullanarak 100'den fazla dil ciftinde hemen ceviriler yapabilirsiniz.ingilizce turkce ceviri