Ultralow-Barrier Ion Transport in the Subnitride Electride Ba$_3$N for High-Rate Sodium Storage
Year: 2026
Type: preprint
Abstract: Electrides, ionic crystals in which excess electrons are delocalized within interstitial voids rather than bound to specific atomic sites, exhibit exotic physicochemical behaviors, yet their potential as electrochemical energy-storage hosts remains largely unexplored. Here, using comprehensive first-principles calculations, we demonstrate that the quasi-one-dimensional subnitride electride Ba$_3$N offers a compelling route to overcome the long-standing performance trade-offs in sodium-ion battery anodes. Spontaneous Na intercalation into the open interchain channels establishes thermodynamically stable phases, generating an exceptionally flat low-potential plateau that avoids the high-potential sloping losses of hard carbon while preserving an essential safety margin against dendrite formation. Crucially, the itinerant interstitial anionic electron sea dynamically flattens the potential landscape by suppressing site-specific orbital interactions, enabling ultrafast Na ion transport with an exceptionally low migration barrier. This work establishes a design paradigm for harnessing electride chemistry to achieve ultrafast battery electrodes.
Source: arXiv (Cornell University)
Authors: Kim, Seulbi, Jang, Bo Gyu
Institution: Kyung Hee University
Language: English
Subfield: Electrical and Electronic Engineering
Field: Engineering
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W7214004006