Experimental and theoretical investigations of the effect of heteroatom-doped carbon microsphere supports on the stability and storage capacity of nano-CoO conversion anodes for application in lithium-ion batteries

• Published in: Nanoscale advances 2020-07, Vol.2 (7), p.2914-2924
• Main Authors: Dwivedi, Pravin K, Nair, Aathira, Mehare, Rupali S, Chaturvedi, Vikash, Joshi, Kavita, Shelke, Manjusha V
• Format: Article
• Language: English
• ISSN: 2516-0230
• DOI: 10.1039/d0na00261e

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. An experimental and computational study of nanocomposite anodes comprising Co 3 O 4 nanoparticles decorated on nitrogen and sulphur co-doped carbon spheres for appliction in LIBs.