Primary study2025
Multifunctional covalent organic framework with extended π-d conjugated structure for lithium-sulfur batteries
Wu M., Zhang H., Cai S. et al. · Inorganic Chemistry Frontiers · 2025
Reported here: Ni-COF computational model
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Ni-COF computational model
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2025–2025publication span
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| Paper and reported name | Formula and components | Structure context | Source |
|---|---|---|---|
| Ni-COF computational model2025 · Multifunctional covalent organic framework with extended π-d conjugated structure for lithium-sulfur batteries | periodic Ni-COF slab/modelNi-N/O coordination sites · HBC/TABQ-derived model framework | 2D · Model SystemDFT model with x/y directions parallel to Ni-COF plane and 20 A vacuum along z. | p006 · Calculation Details · Fig. 3g,h |