Ultralow-Barrier Ion Transport in the Subnitride Electride Ba3N for High-Rate Sodium Storage
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 Ba3N 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.
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BibTeX
@misc{kim2026ultralowbarrier,
title = {{Ultralow-Barrier Ion Transport in the Subnitride Electride Ba$_3$N for High-Rate Sodium Storage}},
author = {Seulbi Kim and Bo Gyu Jang},
howpublished = {arXiv},
year = {2026},
month = sep,
doi = {10.48550/arxiv.2609.23391},
eprint = {2609.23391},
archivePrefix = {arXiv},
url = {https://arxiv.org/abs/2609.23391},
note = {CC BY 4.0},
}
RIS
TY - UNPB
TI - Ultralow-Barrier Ion Transport in the Subnitride Electride Ba_3N for High-Rate Sodium Storage
AU - Seulbi Kim
AU - Bo Gyu Jang
PY - 2026
DA - 2026/09/20
PB - arXiv
DO - 10.48550/arxiv.2609.23391
UR - https://arxiv.org/abs/2609.23391
AB - 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_3N 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.
ER -