Structures and properties of carbon-doped amorphous silicon as anode for lithium ions battery: A first-principles study

wangyang Ruan; Caimeng Yu; Zhe Li; Shu Luo; Daosong Zha; Cen Wang; Min Wu

doi:10.1039/d6cp00511j

journal article Jan 01, 2026

Structures and properties of carbon-doped amorphous silicon as anode for lithium ions battery: A first-principles study

wangyang Ruan Caimeng Yu Zhe Li

Shu Luo

Daosong Zha Cen Wang

Min Wu

Physical Chemistry Chemical Physics · Royal Society of Chemistry (RSC)

View at Publisher Save 10.1039/d6cp00511j

Abstract

Silicon-based materials are considered promising candidates for next-generation lithium-ion battery (LIB) anodes due to their high theoretical specific capacity. However, their significant volume expansion during cycling severely limits their application....

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Published: Jan 01, 2026
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wangyang Ruan, Caimeng Yu, Zhe Li, et al. (2026). Structures and properties of carbon-doped amorphous silicon as anode for lithium ions battery: A first-principles study. Physical Chemistry Chemical Physics. https://doi.org/10.1039/d6cp00511j

Structures and properties of carbon-doped amorphous silicon as anode for lithium ions battery: A first-principles study

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