Performance enhancement of carbon-coated Si nanoparticles for lithium-ion batteries through the generation of lithophilic sites by a simple oxidation process

Silicon nanoparticles (Si NPs) are potential anode materials for next-generation lithium-ion batteries due to their natural abundance, low discharge potential, and high theoretical capacity. Carbon coating improves the capacity of the Si NPs, protects them from disintegration during the lithiation/delithiation process, and provides an additional conductive matrix. Surface modification as a tool leading to capacity enhancement in carbon-coated Si NPs has rarely been explored. It is a straightforward process that involves the surface functionalization of carbon-coated Si NPs (Si-C) with the oxidizing acidic mixture. The surface-treated Si-C functionalized with carboxyl and hydroxyl groups in excess on the carbon surface of Si-C NPs. As a result of surface modification, the acid-treated Si-C (Si-C-AT) displayed a higher reversible capacity of 1575 mA h g(-1) after 200 cycles compared to the Si-C (1261 mA h g(-1)) and bare Si (961 mA h g(-1)). This high capacity of Si-C-AT is a cumulative outcome of the functional groups and the disordered structure of the carbon shell. The functional groups act as lithophilic sites, and the disordered carbon shell facilitates the insertion-desertion of lithium ions. The simple surface modification strategy proposed in the present study significantly enhances the cyclability of the Si-C-AT NPs and has great potential for application in carbon-coated materials for lithium-ion batteries.