Density functional theory simulation of cobalt oxide aggregation and facile synthesis of a cobalt oxide, gold and multiwalled carbon nanotube based ternary composite for a high performance supercapattery

• Main Authors: Iqbal, Javed, Li, Lijie, Numan, Arshid, Rafique, Saqib, Jafer, Rashida, Mohamad, Sharifah, Khalid, Mohammad, Ramesh, Kasi, Ramesh, Subramaniam
• Format: Article
• Published: Royal Society of Chemistry 2019
• Subjects: QC Physics; QD Chemistry
• Online Access: http://eprints.um.edu.my/24070/; https://doi.org/10.1039/c9nj02473e

A novel ternary composite consisting of cobalt oxide (Co3O4) nanoparticles (NPs) grown on multiwalled carbon nanotubes (MWCNTs) and mixed with gold (Au) NPs is synthesized by a single step hydrothermal route. Initially, density functional theory (DFT) simulations were carried out to model the aggreg...