Umesh Waghmare

Publications

Opportunities and challenges for 2D heterostructures in battery applications: a computational perspective

Opportunities and chal...

With an increasing demand for large-scale energy storage systems,...

Mechanism of Charge Transfer in Olivine-Type LiFeSiO4 and LiFe0.5M0.5SiO4 (M = Mg or Al) Cathode Materials: First-Principles Analysis

Mechanism of Charge Tr...

Olivine silicates LiMSiO4 (where M = Mn, Fe, Co,...

Tuning electrochemical potential of LiCoO2 with cation substitution: first principles predictions and electronic origin

Tuning electrochemical...

We simulate substitution of various elements (X = Be,...

Electrochemical potentials of layered oxide and olivine phosphate with aluminum substitution: A first principles study

Electrochemical potent...

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Origins of electrochemical performance of olivine phosphate as cathodes in Li-ion batteries: Charge transfer, spin-state, and structural distortion

Origins of electrochem...

...

Ab initio Simulations Of A Novel Sodium Superionic Conductor

Ab initio Simulations ...

In the current study, using first-principles simulations, we present...

Theoretical prediction of a highly conducting solid electrolyte for sodium batteries: Na10GeP2S12

Theoretical prediction...

Using first-principles simulations, we predict a high-performance solid electrolyte...

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