Fluoride Frameworks as Potential Calcium Battery Cathodes
DB Tekliye, GS Gautam - Journal of Materials Chemistry A, 2024 - pubs.rsc.org
Calcium batteries (CBs) are potential next-generation energy storage devices, offering a
promising alternative to lithium-ion batteries due to their theoretically high energy density …
promising alternative to lithium-ion batteries due to their theoretically high energy density …
Accuracy of metaGGA functionals in describing transition metal fluorides
DB Tekliye, GS Gautam - arXiv preprint arXiv:2401.10832, 2024 - arxiv.org
Accurate predictions of material properties within the chemical space of transition metal
fluorides (TMFs), using density functional theory (DFT) is important for advancing several …
fluorides (TMFs), using density functional theory (DFT) is important for advancing several …