Thermal transport of LiPS solid electrolytes with ab initio accuracy

D Tisi, F Grasselli, L Gigli, M Ceriotti - arxiv preprint arxiv:2401.12936, 2024 - arxiv.org
The vast amount of computational studies on electrical conduction in solid state electrolytes
is not mirrored by comparable efforts addressing thermal conduction, which has been …

Seebeck coefficient of ionic conductors from Bayesian regression analysis

E Drigo, S Baroni, P Pegolo - Journal of Chemical Theory and …, 2024 - ACS Publications
We propose a novel approach to evaluating the ionic Seebeck coefficient in electrolytes from
relatively short equilibrium molecular dynamics simulations, based on the Green–Kubo …

Thermal conductivity of solid electrolytes with ab initio accuracy

D Tisi, F Grasselli, L Gigli, M Ceriotti - Physical Review Materials, 2024 - APS
The vast amount of computational studies on electrical conduction in solid-state electrolytes
is not mirrored by comparable efforts addressing thermal conduction, which has been …

Interatomic potential for sodium and chlorine in both neutral and ionic states

H Sun, C Maxwell, E Torres, LK Béland - Physical Review B, 2024 - APS
Molten salts could play an important role in energy storage, in the form of liquid batteries,
and heat storage for solar and nuclear power. However, their widespread application is …

Thermoelectric effects in polar liquids and ionic conductors

E Drigo - 2024 - tesidottorato.depositolegale.it
Transport theory describes non-equilibrium conditions. The Onsager equations set a linear
relationship between thermodynamic forces and macroscopic currents. When a temperature …