Experimental and theoretical investigations of the effect of heteroatom-doped carbon microsphere supports on the stability and storage capacity of nano-Co(3)O(4) conversion anodes for application in lithium-ion batteries

Conversion-type anode materials have been intensely studied for application in Li-ion batteries (LIBs) due to their potentially higher capacities than current graphite-based anodes. This work reports the development of a high-capacity and stable anode from a nanocomposite of N and S co-doped carbon spheres (NSCSs) with Co(3)O(4) (NSCS–Co(3)O(4)). A hydrothermal reaction of saccharose with l-cysteine was carried out, followed by its carbonization. CSs when used as supports for conversion-type materials provide efficient electron/ion transfer channels, enhancing the overall electrochemical performance of the electrodes. Additionally, the heteroatoms doped in a carbon matrix alter the electronic properties, often increasing the reactivity of the carbon surface, and they are reported to be effective for anchoring metal oxide nanoparticles. Consequently, the NSCS–Co(3)O(4) nanocomposites developed in this work exhibit enhanced and stable reversible specific capacity over several cycles. Stable cycling behavior was observed at 1 A g(−1) with 1285 mA h g(−1) of specific capacity retained after 350 cycles along with more than 99% of coulombic efficiency. This material shows excellent rate capability with a specific capacity of 745 mA h g(−1) retained even at a high current density of 5 A g(−1). Detailed DFT-based calculations revealed the role of doped supports in controlling the volume expansion upon lithiation.