Sang Z., Liu J., Zhang X. et al. · ACS Nano · 2023 · 3077-3087
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.
Cu-BTA-H shows chemically induced self-charging after discharge, attributed to spontaneous oxidation of discharged species by dissolved oxygen in alkaline electrolyte.
Caveat: Self-charging mechanism is inferred from rest tests and ex situ XPS after oxidation, not direct oxygen-consumption quantification.
3083-3084 · Results and Discussion · Figure 5 · Linked to 5 structured results
The paper describes Cu-BTA/Ni-BTA as conductive c-MOFs and uses EPR, DFT gaps, EIS and GITT to support fast electron/ion transport, but it does not report a first-hand bulk or film electrical conductivity value for these samples.
Caveat: A general literature conductivity range for c-MOFs (0.1-1000 S cm^-1) appears in the introduction but is not a measured result for this work.
3078,3081 · Introduction; Results and Discussion · Linked to 4 structured results
Higher crystallinity in Cu-BTA-H improves electronic/ionic transport and cycling stability relative to low-crystallinity Cu-BTA-L.
Caveat: No direct electronic conductivity measurement is reported; transport evidence comes from EIS/GITT and DFT band-gap calculations.
3080-3081 · Results and Discussion · Figures 2, S9, S10 · Linked to 8 structured results
Nanosized particles and mesopores in Cu-BTA-H and Ni-BTA-H facilitate ion diffusion in the cathodes.
Caveat: Porosity is from powder N2 sorption; diffusion coefficients are order-of-magnitude GITT estimates on composite electrodes.
3079 · Results and Discussion · Figure S2 · Linked to 6 structured results
DFT binding-energy calculations support higher Zn uptake and theoretical capacity for Cu-BTA than Ni-BTA.
Caveat: DFT models are finite molecular chain fragments, not full periodic solvated electrodes.
3083 · Results and Discussion · Figure 4d,e; Figures S15-S17 · Linked to 6 structured results
Cu-BTA-H stores Zn2+ through dual redox-active sites: Cu2+/Cu+ metal-node redox plus C=N/C-N ligand redox, giving higher capacity than Ni-BTA-H.
Caveat: Mechanistic assignments rely on CV peak interpretation and ex situ spectroscopy; no in situ structural refinement is reported.
3077,3082 · Abstract; Results and Discussion · Figures 2 and 3 · Linked to 6 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| Cu-BTA | Cu-BTA; exact empirical formula not reportedCu ions in mixed Cu2+/Cu+ states coordinated to deprotonated BTA nitrogen sites · 1,2,4,5-benzenetetramine (BTA, introduced as BTA.4HCl) | 1D · PristineOne-dimensional pi-pi/pi-d conjugated conductive metal-organic framework chain; BTA ligands coordinate Cu2+ ions in a square planar manner, forming M-NH-C coordination and C=N/C-N redox sites. | 3079 · Results and Discussion · Figure 1a,b |
| Cu-BTA polymeric chain model | Cu2-BTA / Cu2Znx-BTA model clustersCu nodes in relaxed DFT model · BTA repeating units | 1D · Model SystemDFT model of Cu-BTA polymeric chains with repeating units n = 1-7 and Zn-intercalated Cu2Znx-BTA configurations. | 3082-3084 · Computational Details · Figure 4 |
| Ni-BTA | Ni-BTA; exact empirical formula not reportedNi2+ ions coordinated to BTA nitrogen sites · 1,2,4,5-benzenetetramine (BTA, introduced as BTA.4HCl) | 1D · PristineHigh-crystallinity BTA-based conductive MOF analogue with rod-like morphology and redox-inert Ni2+ centre; used as a single-mechanism Zn2+ storage control. | 3079 · Results and Discussion · Figure 1 |
| Ni-BTA polymeric chain model | Ni2-BTA / Ni2Znx-BTA model clustersNi nodes in relaxed DFT model · BTA repeating units | 1D · Model SystemDFT model of Ni-BTA polymeric chains with repeating units n = 1-7 and Zn-intercalated Ni2Znx-BTA configurations. | 3082-3084 · Computational Details · Figure 4 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| Cu-BTA DFT polymeric chain modelresearch_0773__mat__mat_cu_bta_model | Model · Model System · Model | Gaussian 09 B3LYP/6-31g relaxed molecular model; MESP analysed by Multiwfn and visualised in VMD.repeating units n = 1-7; Cu2Znx-BTA for Zn uptake | 3084 · Computational Details · Figure 4 |
| Cu-BTA-H composite cathode nanosheetresearch_0773__mat__mat_cu_bta | Electrode · Composite Sample · Composite | Cu-BTA-H powder mixed with Ketjen Black and PTFE dispersion in a 7:2:1 weight ratio.CR2032 coin cell cathode; zinc foil anode · mass loading approximately 1.5 mg cm^-2 | 3084 · Electrochemical Measurement |
| Cu-BTA-H powderresearch_0773__mat__mat_cu_bta | Powder · Target Sample · Pristine Framework | High-crystallinity Cu-BTA prepared by mild water-bath treatment at 60 deg C for 12 h after room-temperature mixing. | 3079,3084 · Results and Discussion; Experimental Section · Figure 1 |
| Cu-BTA-L composite cathode nanosheetresearch_0773__mat__mat_cu_bta | Electrode · Composite Sample · Composite | Cu-BTA-L powder mixed with conductive carbon and PTFE using the same cathode recipe used for analogues.CR2032 coin cell cathode; zinc foil anode · mass loading approximately 1.5 mg cm^-2 assumed from shared cathode method | 3084 · Electrochemical Measurement · Figure 2; Figure S8 |
| Cu-BTA-L powderresearch_0773__mat__mat_cu_bta | Powder · Pristine Control · Pristine Framework | Low-crystallinity Cu-BTA analogue prepared at room temperature without water-bath ageing. | 3079,3084 · Results and Discussion; Experimental Section · Figure 1; Figure S1 |
| Ni-BTA DFT polymeric chain modelresearch_0773__mat__mat_ni_bta_model | Model · Model System · Model | Gaussian 09 B3LYP/6-31g relaxed molecular model; MESP analysed by Multiwfn and visualised in VMD.repeating units n = 1-7; Ni2Znx-BTA for Zn uptake | 3084 · Computational Details · Figure 4 |
| Ni-BTA-H composite cathode nanosheetresearch_0773__mat__mat_ni_bta | Electrode · Composite Sample · Composite | Ni-BTA-H powder mixed with Ketjen Black and PTFE dispersion in a 7:2:1 weight ratio.CR2032 coin cell cathode; zinc foil anode · mass loading approximately 1.5 mg cm^-2 | 3084 · Electrochemical Measurement |
| Ni-BTA-H powderresearch_0773__mat__mat_ni_bta | Powder · Pristine Control · Pristine Framework | High-crystallinity Ni-BTA analogue prepared by coordinating BTA.4HCl with NiCl2.6H2O in ammonia at room temperature. | 3079,3084 · Results and Discussion; Experimental Section · Figure 1; Figure S1 |