Published August 4, 2025 | Version v1
Dataset Open

Data set for Forged by Charge: Polaron-Induced Matrix Formation in Silicon Nitride Conversion-Type Anodes for Lithium-ion Batteries

Authors/Creators

  • 1. ROR icon Advanced Research Center for Nanolithography (Netherlands)
  • 2. ROR icon University of Amsterdam
  • 3. ROR icon Leiden University
  • 4. EDMO icon Leiden University, Leiden Institute of Chemistry
  • 5. Advanced Research Center for Nanolithography

Description

This repository contains the library of computational structures generated and used for our study "Forged by Charge: Polaron-Induced Matrix Formation in Silicon Nitride Conversion-Type Anodes for Lithium-ion Batteries" (https://doi.org/10.1039/D5TA04013B). The final processed data is compiled into a single ASE-compatible database file (https://wiki.fysik.dtu.dk/ase/ase/db/db.html), `LiSi3N4-HSE-Data.db`.

Files

Files (2.6 MB)

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md5:4344556557f2d7f90b168803610708da
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Additional details

Related works

Is supplement to
Journal article: 10.1039/D5TA04013B (DOI)