228 citations · 483 across the 5 of their papers we have counts for
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Exploration of amorphous VO as cathode for magnesium batteries
Vijay Choyal, Debsundar Dey, Gopalakrishnan Sai Gautam
Development of energy storage technologies that can exhibit higher energy densities, better safety, and lower supply-chain constraints than the current state-of-the-art Li-ion batt…
Real-space methods for ab initio modelling of surfaces and interfaces under external potential bias
Kartick Ramakrishnan, Gopalakrishnan Sai Gautam, Phani Motamarri
Accurate ab initio modelling of surfaces and interfaces, especially under an applied external potential bias, is important for describing and characterizing various phenomena that…
Evaluating transition-metal oxides within DFT-SCAN and SCAN+U frameworks for solar thermochemical applications
Gopalakrishnan Sai Gautam, Emily A. Carter
Using the strongly constrained and appropriately normed (SCAN) and SCAN+U approximations for describing electron exchange-correlation (XC) within density functional theory, we inve…
On the Balance of Intercalation and Conversion Reactions in Battery Cathodes
Daniel C. Hannah, Gopalakrishnan Sai Gautam, Pieremanuele Canepa +1
We present a thermodynamic analysis of the driving forces for intercalation and conversion reactions in battery cathodes across a range of possible working ion, transition metal, a…
Role of structural HO in intercalation electrodes: the case of Mg in nano-crystalline Xerogel-VO
Gopalakrishnan Sai Gautam, Pieremanuele Canepa, William Davidson Richards +2
Co-intercalation is a potential approach to influence the voltage and mobility with which cations insert in electrodes for energy storage devices. Combining a robust thermodynamic…