Klyatskaya S., Kanj A.B., Molina-Jiron C. et al. · ACS Applied Materials and Interfaces · 2020 · 30972-30979
Open a family to keep every result attached to its sample, method and conditions.
Paraphrased for this database from the authors’ stated interpretations — never quoted verbatim — and kept separate from reported measurements.
Growing Cu(BDC) SURMOF-2 directly on prepatterned interdigitated electrodes enabled in situ conductivity measurements without delaminating or separately processing the polymer/MOF hybrid.
main p.5 · Results and Discussion · Figure 4 · Linked to 2 structured results
The SI bulk-solution EP control forms only very low-mass oligomers and shows nonhomogeneous polymer distribution, arguing against simple polymer formation on top of the SURMOF as the explanation for the target MALDI distribution.
Caveat: Control is qualitative and reported in SI, not as a quantitative transport comparison.
SI p.S-7 · Figure S6/S7 discussion · Figures S7-S8 · Linked to 1 structured result
1-hexyne filling of Cu(BDC) pores is partial and not homogeneous within the MOF network.
Caveat: Filling rate is based on semi-quantitative EDX and literature/estimated structural parameters.
SI p.S-7 · Figure S5 discussion · Figures S5, S7, S8 · Linked to 3 structured results
The Cu(BDC) SURMOF host framework remains crystalline and does not show contraction or symmetry change after guest loading and electropolymerisation.
Caveat: The XRD intensity is reported to decrease slightly after EP; figure-axis peak positions are approximate visual reads.
main p.4 · Results and Discussion · Figure 2b · Linked to 4 structured results
In-pore electropolymerisation of BPA converts insulating Cu(BDC) SURMOF-2 into a conductive hybrid thin film with about eight orders of magnitude higher conductivity.
Caveat: The main text gives 0.098 S m-1, while the SI conductivity model refers to 0.16 S m-1.
main p.5 · Results and Discussion · Figure 4 · Linked to 3 structured results
DFT geometry optimisation identifies a modified trans-transoid BPA conformation as the most likely conformation inside the Cu(BDC) channels.
Caveat: Computational geometry assignment; direct structural proof of polymer conformation in pores is indirect.
SI p.S-12 · Atomistic geometry of the MOF-Polymer system · Figure S11 · Linked to 1 structured result
1-hexyne monomers confined in the 1D channels of Cu(BDC) SURMOF-2 are cathodically electropolymerised to butyl-substituted polyacetylene oligomers.
Caveat: MALDI requires dissolving the framework and includes chemical noise/adduct interpretation.
main p.4 · Results and Discussion · Figures 2-3 · Linked to 4 structured results
The conductive BPA oligomers are inferred to be doped, likely p-doped by traces of chlorine generated from dichloromethane electrolysis.
Caveat: The chlorine p-doping assignment is proposed rather than directly quantified.
main p.5 · Results and Discussion · Figure 2a · Linked to 3 structured results
The final conductivity is limited by hopping between short polyacetylene oligomers rather than by intrachain transport along long polymer strands.
Caveat: Percolation model is an upper-bound calculation and uses simplified lattice and hopping assumptions.
main p.5 · Results and Discussion · Supporting Information · Linked to 4 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| BPA@Cu(BDC)-SURMOF-2 | Butyl-substituted polyacetylene (BPA) oligomers confined in Cu(BDC) SURMOF-2Cu paddle-wheel metal nodes of the SURMOF host · BDC linkers plus 1-hexyne-derived butyl-substituted polyacetylene chains in pores | 3D · CompositeHybrid thin film in which confined 1-hexyne is electropolymerised to BPA inside the 1D channels of Cu(BDC) SURMOF-2; XRD peak positions are retained after electropolymerisation. | main p.2 · Results and Discussion · Figure 1b,d |
| Cu(BDC) SURMOF-2 | Cu(BDC); BDC = 1,4-benzenedicarboxylateCu paddle-wheel metal nodes · 1,4-benzenedicarboxylate (BDC) | 3D · PristineSurface-mounted Cu(BDC) SURMOF-2 thin film with P4 symmetry and 1D channels propagating along the crystallographic [001] direction; oriented layer-by-layer films have channels running parallel to the substrate surface. | main p.2 · Results and Discussion · Figure 1a |
| Modelled BPA@Cu(BDC) SURMOF system | Model system for BPA oligomers in Cu(BDC) SURMOF poresCu(BDC) host represented in DFT/percolation modelling · BDC plus modelled butyl-substituted polyacetylene oligomers | unknown · Model SystemDFT and percolation model of confined BPA chains; most likely polymer conformation is a modified trans-transoid form fitting inside the MOF channel. | SI p.S-12 · Atomistic geometry of the MOF-Polymer system · Figure S11 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| BPA@Cu(BDC)-SURMOF-2 after electropolymerisationresearch_0523__mat__bpa_cu_bdc_surmoF2 | Electrode · Target Sample · Composite | 1-hexyne-loaded Cu(BDC) SURMOF-2 after cathodic constant-voltage electropolymerisation in dichloromethane/TBAHFP; some samples stored under argon for 3 months.Interdigitated gold electrodes for transport; Au/Ti/Si cathode for spectroscopy and product analysis · 100 +/- 5 nm MOF layer on gold electrode stack | main p.5 · Results and Discussion · Figure 4 |
| Bulk-solution EP control using as-prepared SURMOF electroderesearch_0523__mat__bpa_cu_bdc_surmoF2 | Electrode · Unknown · Composite | Control experiment where 1-hexyne was electropolymerised from bulk solution in the presence of an as-prepared SURMOF electrode.As-prepared SURMOF used as electrode | SI p.S-7 · Figure S6/S7 discussion · Figure S7 |
| 1-hexyne-loaded Cu(BDC) SURMOF-2research_0523__mat__cu_bdc_surmoF2 | Thin Film · Composite Component · Guest Loaded | Activated Cu(BDC) SURMOF-2 exposed to 20 mM 1-hexyne in dry dichloromethane for about 45 h under argon, then rinsed.Au/Ti/Si or interdigitated gold electrode substrate · approximately 100 nm parent SURMOF layer | SI p.S-1 · 1-Hexyne loading and Electropolymerization |
| DFT/percolation model of BPA@Cu(BDC) SURMOFresearch_0523__mat__model_bpa_cu_bdc | Model · Model System · Model | Computational model of confined BPA oligomers, electronic coupling between 1-hexyne monomer sites, and interchain hopping/percolation. | SI p.S-13 · Conductivity Model for MOF-Polymer system · Figure S12 |
| Pristine Cu(BDC) SURMOF-2 thin-film deviceresearch_0523__mat__cu_bdc_surmoF2 | Electrode · Pristine Control · Pristine Framework | Layer-by-layer spray-deposited Cu(BDC) SURMOF-2 on prepatterned interdigitated gold electrodes before guest loading and EP.Metrohm interdigitated gold electrodes · 100 nm MOF film; SEM cross-section reports 100 +/- 5 nm | main p.5 · Results and Discussion · Figure 4; Figure S4 |
| Pristine Cu(BDC) SURMOF-2 thin film on Au/Ti/Siresearch_0523__mat__cu_bdc_surmoF2 | Thin Film · Pristine Control · Pristine Framework | Layer-by-layer spray-grown Cu(BDC) SURMOF-2 before guest loading.150 nm Au / 5 nm Ti deposited on Si wafers; MHDA self-assembled monolayer · 100 nm target thickness from 50 spray cycles | SI p.S-1 · Sample preparation |