Atomistic and electronic insights into Ca2+ and Li+ intercalation in TiS2: a first-principles approach supported by electrochemical validation
Abstract Calcium-ion batteries are emerging as a sustainable and high-energy alternative to lithium systems, yet the atomic-scale origin of their ion–host interactions remains unclear. We clarified the coupling between ion mobility and electronic structure in titanium disulfide (TiS2) by combining m...
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| Principais autores: | , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
Nature Portfolio
2026-03-01
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| Series: | Scientific Reports |
| Assuntos: | |
| Acceso en liña: | https://doi.org/10.1038/s41598-026-42087-w |
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