Facet-Controlled Chemistry at Silicon Anode/Carbonate Electrolyte Interfaces: Intact Chemisorption, Surface Reconstruction, Charge-Treatment Sensitivity of Li+ Transport, and Interatomic-Potential Benchmarks (data package, version 2)

Version 2 (2026-09-25): interface chemistry rebuilt from topology-verified structures (single dative Si-O chemisorption on all facets; binding-energy decomposition); all downstream results recomputed. Version 1 carried corrupted molecular templates and is superseded.Version 2 (2026-09-25): interface chemistry rebuilt from topology-verified structures (single dative Si-O chemisorption on all facets; binding-energy decomposition); all downstream results recomputed. Version 1 carried corrupted molecular templates and is superseded.