journal article·2026

Theoretical study of reduction reactions near a calcium anode: a grand canonical DFT investigation

Pierre Beaujean, Benoît R. Champagne

Publisher page

Abstract

Understanding the fundamental electrochemical behavior of calcium electrolytes is crucial for advancing calcium-metal batteries. In this work, Grand-Canonical Density Functional Theory (GC-DFT) is used to elucidate the electrode reaction mechanisms...
Source: crossref · Quality: baseline

Research context

OpenAlex topics: Molten salt chemistry and electrochemical processes · Thermal Expansion and Ionic Conductivity · Advanced battery technologies research

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

References

Reference metadata was not supplied for this record.