A comparative study of honeycomb-like 2D π-conjugated metal-organic framework chemiresistors: conductivity and channels
Yao M.-S., Wang P., Gu Y.-F. et al. · Dalton Transactions · 2021
Reported here: Cu-HHTP-THQ
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2 papers
Yao M.-S., Wang P., Gu Y.-F. et al. · Dalton Transactions · 2021
Reported here: Cu-HHTP-THQ
Yao M.-S., Zheng J.-J., Wu A.-Q. et al. · Angewandte Chemie - International Edition · 2020
Reported here: Cu3(HHTP)(THQ) · Cu3(HHTP)(THQ) DFT crystal model
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| Paper and reported name | Formula and components | Structure context | Source |
|---|---|---|---|
| Cu-HHTP-THQ2021 · A comparative study of honeycomb-like 2D π-conjugated metal-organic framework chemiresistors: conductivity and channels | Cu3(HHTP)(THQ)CuO4 square-planar nodes with H2en2+ counterions · HHTP and THQ (tetrahydroxy-1,4-quinone) | 2D · PristineDual-ligand honeycomb-like 2D pi-conjugated cMOF; trigonal P3m1; AB slipped-parallel stacking with counterions occupying channels. | p003; article page 13237 · Results and discussion · Fig. 1 |
| Cu3(HHTP)(THQ)2020 · A Dual-Ligand Porous Coordination Polymer Chemiresistor with Modulated Conductivity and Porosity | Cu3(C18O6H6)(C6O6); EA-derived hydrated/counterion formula [Cu3(C18O6H6)(C6O6)(H2O)11.78(NH3CH2CH2NH3)1.59]Square-planar CuO4 units; each CuO4 centre assigned as negatively charged (-1) · HHTP = 2,3,6,7,10,11-hexahydrotriphenylene; THQ = tetrahydroxy-1,4-quinone | 2D · PristineDual-ligand 2D pi-conjugated electronically conductive MOF/porous coordination polymer with trigonal P3m1 unit cell and AB slightly slipped-parallel stacking. | 172 · Abstract |
| Cu3(HHTP)(THQ) DFT crystal model2020 · A Dual-Ligand Porous Coordination Polymer Chemiresistor with Modulated Conductivity and Porosity | Cu3(HHTP)(THQ) periodic modelCu2+ centres with Hubbard U correction in periodic DFT · HHTP and THQ | 2D · Model SystemPeriodic DFT model comparing AA stacking and AB slipped-parallel stacking of the dual-ligand framework. | 3-4 · Computational simulation · Figure S6 |