Author

N. Kuganathan

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Open access Sep 2026

Atomistic Modelling of the Lithium-Based NASICON-Type Electrolyte LiZr2(PO4)3

LiZr2(PO4)3 (LZP) is a promising solid-state electrolyte for lithium-ion batteries owing to its structurally stable NASICON-type framework and potential for rapid Li-ion conduction. In this study, classical atomistic simulations were employed to investigate intrinsic defect formation, Li-ion migration and dopant incorp...

Birunthayini Sivasithamparapillai, Poobalasuntharam Iyngaran, Poobalasingam Abiman et al. · Processes · 0 citations

Open access Oct 2026

Influence of isovalent dopants on vacancy–oxygen–hydrogen defects in silicon

The vacancy–oxygen (VOi) center is an important defect in Si, introducing energy levels within the bandgap and acting as a recombination center that degrades device performance. Hydrogen can passivate the VOi center, forming defects such as VOiHi, which modify the electronic structure and produce characteristic infrare...

N. Kuganathan, P. Filippatos, E. Sgourou et al. · AIP Advances · 0 citations