Sindhu P., Ananthram K.S., Jain A. et al. · Nature Communications · 2022 · 7665
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.
The solution-processed heterostructure retained similar I-V profiles after months under ambient conditions.
Caveat: Ambient-stability statement is qualitative; the supporting plots are in Supplementary Fig. 11 without text-reported numeric drift.
4 · Results · Supplementary Fig. 11 · Linked to 1 structured result
The target heterostructure is not simply a TCNQ-impregnated Cu-BPyDC film.
Caveat: The control relies on the authors' standard TCNQ impregnation procedure and Raman fingerprints; no independent porosity uptake measurement is reported.
5 · Results · Fig. 5a · Linked to 4 structured results
Cu-BPyDC in the thin film is mixed phase, with phase-I dominant over phase-II after extended LbL growth.
3 · Results · Fig. 3; Supplementary Fig. 2 · Linked to 4 structured results
DFT(+U) and Bader analysis link metallicity to interfacial charge accumulation and percolation.
Caveat: Authors state Bader analysis identifies affected atoms but does not provide the orbital nature of transferred charges.
6 · Discussion · Fig. 6; Supplementary Tables 2-3 · Linked to 4 structured results
The high cross-plane conductance of Cu-TCNQ/Cu-BPyDC arises from interfacial metallic conduction at the Cu(I)/Cu(II) MOF interface.
Caveat: Conductance values are approximate reported values; temperature-dependent current magnitudes are visual estimates, but the direction of trend is text-reported.
7 · Summary · Linked to 7 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| Cu-BPyDC | Cu(II)-BPyDC; DFT phase-I model C48H56N8O32Cu4; phase-II model C96H64N16O44Cu10Cu(II) · BPyDC = 2,2'-bipyridene-4,4'-dicarboxylate | unknown · PristineMixed-phase Cu-BPyDC thin film with major phase-I and minor phase-II components; assigned as a band insulator. | 2 · Introduction/Results · Fig. 1; Fig. 3; Supplementary Fig. 2 |
| Cu-TCNQ | Cu-TCNQ; DFT bulk model C48H16N16Cu4Cu(I) · TCNQ = 7,7,8,8-tetracyanoquinodimethane | unknown · PristineSingle-phase Cu(I)-TCNQ thin film; assigned as a Mott insulator. | 2 · Introduction/Results · Fig. 1; Supplementary Fig. 2 |
| Cu-TCNQ/Cu-BPyDC heterostructured thin film | Cu(I)-TCNQ/Cu(II)-BPyDC; phase-I DFT interface C236H200N48O64Cu16Cu(I) in Cu-TCNQ and Cu(II) in Cu-BPyDC · TCNQ and BPyDC | unknown · CompositeLayered heterostructured thin film with FTO/Cu-BPyDC/Cu-TCNQ layers and a Cu(I)/Cu(II) interface. | 2 · Introduction/Results · Fig. 1; Fig. 2b |
| Cu-TCNQ/Cu-BPyDC phase-II DFT interface | C480H224N128O88Cu32Cu(I)/Cu(II) · TCNQ and phase-II BPyDC | unknown · Model SystemDFT(+U) model interface using phase-II Cu-BPyDC as bottom layer. | 18 · Supplementary Fig. 17 · Supplementary Fig. 17; Supplementary Tables 4-6 |
| TCNQ@Cu-BPyDC | TCNQ-loaded Cu-BPyDC thin filmCu(II) in Cu-BPyDC · BPyDC framework with TCNQ guest/dopant | unknown · CompositeTCNQ-impregnated Cu-BPyDC comparison film; Raman indicates TCNQ coordinated to Cu(II) environments. | 4 · Results · Fig. 4e,f; Fig. 5a |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| Pristine Cu-BPyDC thin filmresearch_0760__mat__mat_cu_bpydc | Thin Film · Pristine Control · Pristine Framework | 20 LbL cycles from copper acetate and BPyDC in DMFfunctionalised FTO coated glass substrate · approximately 400 nm | 8 · Methods/Fabrication of pristine Cu-BPyDC thin film |
| Pristine Cu-TCNQ thin filmresearch_0760__mat__mat_cu_tcnq | Thin Film · Pristine Control · Pristine Framework | 20 LbL cycles from copper acetate and TCNQ in ethanolFTO coated glass substrate · approximately 600 nm | 8 · Methods/Fabrication of pristine Cu-TCNQ thin film |
| Cu-TCNQ/Cu-BPyDC heterostructured thin filmresearch_0760__mat__mat_hetero_cu_tcnq_cu_bpydc | Thin Film · Target Sample · Composite | Cu-TCNQ grown on prefabricated Cu-BPyDC; first 5 cycles shortened to 5 min per solution to avoid TCNQ infiltration, then 15 cycles at 30 minfunctionalised FTO coated glass substrate · approximately 1 um | 8 · Methods/Fabrication of Cu-TCNQ/Cu-BPyDC hetero-structured thin film · Fig. 2b |
| DFT bulk Cu-BPyDC phase-I modelresearch_0760__mat__mat_cu_bpydc | Model · Model System · Model | DFT-optimised bulk phase-I model C48H56N8O32Cu4 | 8 · Computational studies |
| DFT bulk Cu-TCNQ modelresearch_0760__mat__mat_cu_tcnq | Model · Model System · Model | DFT-optimised bulk model C48H16N16Cu4 | 8 · Computational studies |
| DFT Cu-TCNQ/Cu-BPyDC phase-I interface modelresearch_0760__mat__mat_hetero_cu_tcnq_cu_bpydc | Model · Model System · Model | Cu-TCNQ/Cu-BPyDC C236H200N48O64Cu16 interface model stacked along (001) of Cu-BPyDC | 8 · Computational studies · Fig. 6; Supplementary Table 1 |
| DFT Cu-TCNQ/Cu-BPyDC phase-II interface modelresearch_0760__mat__mat_model_phase_ii_interface | Model · Model System · Model | Cu-TCNQ/Cu-BPyDC C480H224N128O88Cu32 interface model using phase-II Cu-BPyDC | 8 · Computational studies · Supplementary Fig. 17; Supplementary Tables 4-6 |
| TCNQ@Cu-BPyDC thin filmresearch_0760__mat__mat_tcnq_at_cu_bpydc | Thin Film · Pristine Control · Guest Loaded | prefabricated Cu-BPyDC immersed in saturated ethanolic TCNQ for 48 hfunctionalised FTO coated glass substrate via prefabricated Cu-BPyDC thin film · based on approximately 400 nm prefabricated Cu-BPyDC; final thickness not reported | 8 · Methods/Fabrication of TCNQ@Cu-BPyDC thin film · Fig. 4e,f; Fig. 5a |