https://ogma.newcastle.edu.au/vital/access/ /manager/Index en-au 5 A graph neural network model with local environment pooling for predicting adsorption energies https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:50692 Wed 02 Aug 2023 11:16:26 AEST ]]> Theoretical and experimental investigations of mesoporous C3N5/MoS2 hybrid for lithium and sodium ion batteries https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:44155 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.]]> Mon 29 Jan 2024 17:43:09 AEDT ]]>