| 학회 | 한국공업화학회 |
| 학술대회 | 2022년 봄 (05/11 ~ 05/13, 제주국제컨벤션센터(ICC JEJU)) |
| 권호 | 26권 1호 |
| 발표분야 | 포스터-전기화학 |
| 제목 | Investigating structural properties of polyvinylidene fluoride (PVDF) by using quantum chemical modeling. |
| 초록 | The current lithium-ion battery (LIB) market expands rapidly. Binders are essential to maintaining high capacity and longevity of batteries, and the market grows rapidly. The type of binder can be divided into an organic binder used for a cathode and an aqueous binder used for an anode. In this study, we investigate structural properties of polyvinylidene fluoride (PVDF), a representative material of organic binders by employing quantum chemical modeling. In particular, we present various polymer structures of PVDF determined using the Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS). |
| 저자 | 정승원1, 이상헌1, 임형규2 |
| 소속 | 1이화여자대, 2강원대 |
| 키워드 | Binder; Molecular dynamics; PVDF; Quantum chemical modeling |
