120th General Meeting of the KCS

Type Poster Presentation
Area Material Chemistry
Room No. Exhibition Hall 2+3
Time 10월 19일 (목요일) 11:00~12:30
Code MAT.P-419
Subject Arsenic and Germanium Arsenide for High-Capacity Lithium Ion Batteries
Authors KIM DOYEON, Kidong Park1, JinHa Lee2, Jun Dong Kim, jeunghee park3,*, Jun Dong Kim
Department of Advanced Materials Chemistry, Korea University, Korea
1Micro Device Engineering / Microdevices, Korea University, Korea
2Micro Device Engineering / Semiconductor Device, Korea University, Korea
3Department of Materials Chemistry, Korea University, Korea
Abstract We report arsenic (As) and germanium arsenic (GeAs) as a promising alternative to commercial carbon materials in lithium ion batteries (LIBs). The As (or GeAs) and carbon (C) hybrid nanocomposites were synthesized using a ball-milling method. We first synthesized GeAs nanosheets by a liquid exfoliation of bulk crystals that were synthesized by Bridgeman melt-growth method. The electrochemical properties of As/carbon and GeAs/carbon hybrid nanocomposite for LIBs were investigated using an experimental and theoretical approach. The LIBs showed excellent cycling performance, with a reversible capacity of 1400 mA h g-1 (after 100 cycles). Extensive first-principles calculations were performed employing a structure prediction method for crystalline LixAs (x = 1–6) phases, as well as ab initio molecular dynamics simulations for their amorphous phases. The capacity increase after repeated cycles is explained by a progressive amorphization, since the amorphous phase holds a larger capacity than the crystalline phase. Comparisons of the theoretical discharge curves with the experimental data provide valuable information for the development of high-performance LIBs.
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