Joe, Minwoong Han, Young-Kyu Lee, Kwang-Ryeol Mizuseki, Hiroshi Kim, Seungchul 2024-01-20T09:00:31Z 2024-01-20T09:00:31Z 2021-09-02 2014-10 0008-6223 https://pubs.kist.re.kr/handle/201004/126314 Fullerene-deposited thin films on silicon substrate, their growth conditions and feasibility for durable lithium ion batteries were examined using molecular dynamics and ab initio calculations. An ideal polymeric fullerene film was obtained when the fullerene incident energy was 180 eV; otherwise, the films were ill-grown or amorphized at different energies. The polymeric film coating was demonstrated as a promising approach for durable batteries because it is sufficiently soft and flexible enough to continue covering the silicon anodes under a high volume change during charging and discharging cycles, which maintains a selective conducting channel for lithium ions and an electron-conducting channel. Our calculations provide insight into ideal carbon coating via loosely connected porous sp(2) carbons on a silicon anode surface for durable lithium-ion batteries. (C) 2014 Elsevier Ltd. All rights reserved. English PERGAMON-ELSEVIER SCIENCE LTD MOLECULAR-DYNAMICS CARBON-FILMS NANOSTRUCTURED CARBON SILICON ANODES GROWTH An ideal polymeric C-60 coating on a Si electrode for durable Li-ion batteries Article 10.1016/j.carbon.2014.06.049 1 CARBON, v.77, pp.1140 - 1147 CARBON 77 1140 1147 scie scopus 000340689400121 2-s2.0-84905650397 Chemistry, Physical Materials Science, Multidisciplinary Chemistry Materials Science Article MOLECULAR-DYNAMICS CARBON-FILMS NANOSTRUCTURED CARBON SILICON ANODES GROWTH Lithium ion batteries Si anodes C60 film MD simulations deposition