Computational Modelling — Continuous and reversible tuning of inter-layer spacings in two-dimensional conductive metal organic frameworks

Measurement evidence

Computational Modelling

Continuous and reversible tuning of inter-layer spacings in two-dimensional conductive metal organic frameworks · Dontireddy G.M.R., Suman S.P., Merino-Gardea J.L. et al. · Journal of Materials Chemistry A · 2025 · 8734-8741

1 measurement group · 1 results

Reported values remain attached to the sample, method, conditions, extraction quality and source location that produced them.

Previously published density functional theory band-structure calculation reproduced in SI

Density functional theory

Pristine Ga9HHTP4 powder · Powder

Band structure of Ga9HHTP4 from Annals of the New York Academy of Sciences 2022, 1518, 226-230.

Atmosphere: Computational model
Context: prior model for Ga9HHTP4, used for discussion only
Measurement source: p028 · Figure S22 · Fig. S22

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Previously published DFT band gap of Ga9HHTP4	0.38 eV	—	—	Caption Exact Reported	p028 · Figure S22 · Fig. S22