Measurement evidence
Enhancing the Electrochemical Energy Storage of Metal-Organic Frameworks: Linker Engineering and Size Optimization · Hang X., Wang X., Chen J. et al. · Inorganic Chemistry · 2025 · 427-434
Reported values remain attached to the sample, method, conditions, extraction quality and source location that produced them.
Ni-tdc-bpe(0.5) powder · Powder
Geometry optimisation with energy convergence 2 × 10-5 Ha, maximum force 0.004 Ha/Å, maximum displacement 0.005 Å
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Calculated band gap of Ni-tdc-bpe(0.5)Marked as a best value within this paper | 1.433 eV | — | — | Visual Estimate Approximate | 430 · Results and Discussion · Figure 3g |
Ni-tdc-bpy(0.5) powder · Powder
Geometry optimisation with energy convergence 2 × 10-5 Ha, maximum force 0.004 Ha/Å, maximum displacement 0.005 Å
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Calculated band gap of Ni-tdc-bpy(0.5) | 1.876 eV | — | — | Visual Estimate Approximate | 430 · Results and Discussion · Figure 3f |