184 citations · 1.1k across the 24 of their papers we have counts for
4 papers · 1 filter
Thermodynamics of Sodium-Lead Alloys for Negative Electrodes from First-Principles
Damien K. J. Lee, Zeyu Deng, Gopalakrishnan Sai Gautam +1
Metals, such as tin, antimony, and lead (Pb) have garnered renewed attention for their potential use as alloyant-negative electrode materials in sodium (Na)-ion batteries (NIBs). D…
Exploration of oxyfluoride frameworks as Na-ion cathodes
Debolina Deb, Gopalakrishnan Sai Gautam
Na-ion batteries (NIBs) are increasingly looked at as a viable alternative to Li-ion batteries due to the abundance, low cost, and thermal stability of Na-based systems. To improve…
Fluoride Frameworks as Potential Calcium Battery Cathodes
Dereje Bekele Tekliye, Gopalakrishnan Sai Gautam
Calcium batteries (CBs) are potential next-generation energy storage devices, offering a promising alternative to lithium-ion batteries due to their theoretically high energy densi…
Accuracy of metaGGA functionals in describing transition metal fluorides
Dereje Bekele Tekliye, Gopalakrishnan Sai Gautam
Accurate predictions of material properties within the chemical space of transition metal fluorides (TMFs), using density functional theory (DFT) is important for advancing several…