Zhang, Xiaojie Dong, Xue Woo, Chaeheon Kim, Yeongjin Kang, Jinsu Kim, Kyung In Kim, Yeong Hyeop Lee, Donghyeon Kim, Minjae Mun, Junyoung Yu, Hak Ki Choi, Jae-Young 2025-09-30T08:05:03Z 2025-09-30T08:05:03Z 2025-09-30 2025-10 2050-7488 https://pubs.kist.re.kr/handle/201004/153293 This study modifies the novel one-dimensional van der Waals material V2PS10 by alloying it with selenium (Se) at varying ratios, enhancing its electronic conductivity and optimizing charge distribution. These improvements reduce polarization and significantly enhance its electrochemical performance. V2PSxSe10-x (x = 5-10) series materials were synthesized, and those with x = 7-10 were measured. The results showed that the V2PSxSe10-x (x = 7-10) series achieved capacities close to theoretical values at 0.1 A g-1, and the alloyed V2PSxSe10-x (x = 7-9) exhibited excellent rate performance and long-term cycling stability under high-rate conditions. Among them, V2PS9Se retained 83% of its capacity after 400 cycles at 1 A g-1, highlighting its potential as a promising anode material for lithium-ion batteries (LIBs). Electrochemical behavior and kinetic mechanisms of pristine V2PS10 and alloyed V2PS9Se were investigated. Density functional theory (DFT) calculations comparing charge density and charge density difference revealed the effects of Se alloying on the performance of V2PS10. Additionally, phase transitions and morphological changes during the lithiation/de-lithiation processes were studied, providing new strategies and theoretical guidance for designing high-performance LIB anode materials. English Royal Society of Chemistry A novel 1D van der Waals V2PSxSe10-x (x=7-10) anode for enhanced electrochemical kinetics and high-rate performance via Se alloying in lithium-ion batteries Article 10.1039/d5ta05676d 1 Journal of Materials Chemistry A, v.13, no.40, pp.34851 - 34860 Journal of Materials Chemistry A 13 40 34851 34860 N scie scopus 001574235500001 Chemistry, Physical Energy & Fuels Materials Science, Multidisciplinary Chemistry Energy & Fuels Materials Science Article INTERCALATION PLANE MOS2