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Volume 5, Issue 6 (Suppl) J Mat. Sci.
ISSN: 2321-6212 Advanced Materials 2017
October 26-28, 2017
OCTOBER 26-28, 2017 OSAKA, JAPAN
13TH INTERNATIONAL CONFERENCE ON
Advanced Materials and Nanotechnology
Kai-Ming Ho, J Mat. Sci. 2017, 5:6
DOI: 10.4172/2321-6212-C1-008
Accelerating the exploration of Li/Na-ion battery materials via enlarged crystal structure databases
Kai-Ming Ho
Iowa State University, USA
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.
Biography
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.