@article{8e98bac572b2481ebeac2cb6fe19ee33,
title = "Theoretical and experimental investigations of mesoporous C3N5/MoS2 hybrid for lithium and sodium ion batteries",
abstract = "The electrochemical properties of mesoporous C3N5 with a triazole-based C–N framework coupled with MoS2 as hybrid electrode materials for lithium and sodium ion batteries are investigated. The density functional theory (DFT) calculations suggest that the reversible adsorption of the lithium and sodium ions follows the order C3N5/MoS2 hybrid > C3N5 > g-C3N4. Bader charge analysis shows that the charge transferred from lithium and sodium ions is more distributed across the hybrid material as compared to the pure C3N5. It is experimentally found that the optimized mesoporous C3N5/MoS2 hybrid shows a 3.86 and 10.80 times increase in reversible capacities as compared to mesoporous g-C3N4 for lithium and sodium ion batteries, respectively. Based on the comparative mechanism studies, the limited intercalation kinetics and surface-derived ion storage hinder the application of the mesoporous g-C3N4 in lithium and sodium ion batteries, respectively. The synthesized mesoporous C3N5/MoS2 hybrids with mesopore channels, expanded gallery height and desired ion adsorption energies provide insights to improve the electrode performances of carbon nitrides-based materials for lithium and sodium ion batteries.",
keywords = "Adsorption energy, Batteries, Electrode, Hybrid, N-rich carbon nitrides, Triazole",
author = "Sungho Kim and Marlies Hankel and Wangsoo Cha and Gurwinder Singh and Lee, {Jang Mee} and Kim, {In Young} and Ajayan Vinu",
note = "Funding Information: We would like to thank the Australian Research Council for support of this project through the Discovery programs ( DE170101069 and DP170103721 ) and LIEF ( LE190100021 and LE160100051 ). NEXAFS measurements were supported by the Australian Nuclear Science and Technology Organisation (grant number AS163/SXR/11473 ). This research was undertaken with the assistance of resources provided at the NCI National Facility systems at the Australian National University through the National Computational Merit Allocation Scheme supported by the Australian Government, support from the Queensland Cyber Infrastructure Foundation (QCIF) and the University of Queensland Research Computing Centre. I.Y.K. acknowledges financial support from the University of Newcastle (grant number G1801056UN ) for this work. A. V. acknowledges the University Newcastle for the start-up grant. We acknowledge Dr. Kripal Singh Lakhi for his support for XPS measurement. Funding Information: We would like to thank the Australian Research Council for support of this project through the Discovery programs (DE170101069 and DP170103721) and LIEF (LE190100021 and LE160100051). NEXAFS measurements were supported by the Australian Nuclear Science and Technology Organisation (grant number AS163/SXR/11473). This research was undertaken with the assistance of resources provided at the NCI National Facility systems at the Australian National University through the National Computational Merit Allocation Scheme supported by the Australian Government, support from the Queensland Cyber Infrastructure Foundation (QCIF) and the University of Queensland Research Computing Centre. I.Y.K. acknowledges financial support from the University of Newcastle (grant number G1801056UN) for this work. A. V. acknowledges the University Newcastle for the start-up grant. We acknowledge Dr. Kripal Singh Lakhi for his support for XPS measurement. Publisher Copyright: {\textcopyright} 2020 Elsevier Ltd",
year = "2020",
month = jun,
doi = "10.1016/j.nanoen.2020.104702",
language = "English",
volume = "72",
journal = "Nano Energy",
issn = "2211-2855",
publisher = "Elsevier BV",
}
