228 citations · 483 across the 5 of their papers we have counts for
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cond-mat.mtrl-sci2018★ 174 cited
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…
cond-mat.mtrl-sci2018★ 71 cited
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…