Nam K.W., Park S.S., dos Reis R. et al. · Nature Communications · 2019 · 4948
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.
Cu3(HHTP)2 delivers high reversible capacity and high-rate cyclability as an aqueous rechargeable zinc battery cathode.
Caveat: Application data are from composite electrodes containing acetylene black and PVDF rather than binder-free pristine MOF.
rendered page 1 / article p.1 · Abstract · Figure 3 · Linked to 4 structured results
The discharge process does not include H+ insertion accompanied by formation of a Zn(OH)2 analogue.
Caveat: Based on absence of diagnostic Zn(OH)2 analogue PXRD peaks; no direct proton quantification is reported.
rendered page 6 / article p.6 · Structure analysis during discharge-charge · Figure 5a · Linked to 2 structured results
Cu3(HHTP)2 is a conductive 2D MOF with large one-dimensional channels that facilitate electron and Zn2+ ion transport to active sites.
Caveat: The 0.2 S cm^-1 single-crystal conductivity is a literature value; first-hand powder conductivity in this paper is 0.01 S cm^-1.
rendered page 2 / article p.2 · Introduction · Figure 1b · Linked to 4 structured results
Zn2+ ions are stored in the Cu3(HHTP)2 pores, causing reversible pore contraction while preserving the framework over high-rate cycling.
Caveat: Long-term stability is supported by ex situ PXRD/XPS after cycling and DFT substitution energetics, not by full post-cycle structure refinement.
rendered page 7 / article p.7 · Confirmation of inserting Zn2+ ions · Figure 5 · Linked to 7 structured results
High rate performance is attributed to fast Zn2+ diffusion and low interfacial resistance caused by hydrated Zn2+ insertion through large Cu3(HHTP)2 channels.
Caveat: Hydrated insertion is inferred from TGA, aqueous/organic contrast, and electrochemical impedance rather than directly imaged water molecules in pores.
rendered page 4 / article p.4 · Origin of high rate performance · Supplementary Figs. 6-9 · Linked to 5 structured results
The Zn-Cu3(HHTP)2 cathode follows an intercalation pseudocapacitance charge-storage mechanism rather than being diffusion dominated.
Caveat: Capacitive contribution is derived from CV analysis at 0.5 mV s^-1 and may depend on rate and voltage window.
rendered page 7 / article p.7 · Charge-storage mechanism · Figure 6 · Linked to 4 structured results
Both copper and the quinoid/HHTP linker structure participate as redox-active sites during discharge-charge.
Caveat: The assignment combines ex situ XPS, DFT, and capacity accounting; no operando XAS is reported.
rendered page 6 / article p.6 · Electronic states analysis during discharge-charge · Figure 4 · Linked to 5 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| Cu3(HHTP)2Browse family: Cu₃(HHTP)₂ / Cu–HHTP | Cu3(HHTP)2; HHTP = 2,3,6,7,10,11-hexahydroxytriphenyleneCu coordination nodes · 2,3,6,7,10,11-hexahydroxytriphenylene (HHTP) | 2D · PristineHexagonal 2D sheets stacked in a slipped-parallel configuration along the c axis; indexed to space group P6/mmm with large one-dimensional channels. | rendered page 2 / article p.2 · Results - Synthesis and characterization of Cu3(HHTP)2 · Figures 1b and 2a |
| Cu3(HHTP)2 monolayer modelBrowse family: Cu₃(HHTP)₂ / Cu–HHTP | Cu3(HHTP)2 monolayerCu coordination nodes · HHTP | 2D · Model SystemDFT monolayer model with approximately 20 A vacuum in z direction; long-range order of bulk Cu3(HHTP)2 was not identified. | rendered page 8 / article p.8 · Methods - DFT calculations · Figures 4d and Supplementary Fig. 11 |
| Zn-inserted Cu3(HHTP)2Browse family: Cu₃(HHTP)₂ / Cu–HHTP | Zn3.45[Cu3(HHTP)2] for the overall discharged battery formulaCu coordination nodes with inserted Zn2+ ions · HHTP | 2D · UnknownGuest-loaded discharged form inferred from Zn insertion into the Cu3(HHTP)2 pores with retained framework diffraction peaks. | SI p.10 · Supplementary Note 2 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| 500th fully charged Cu3(HHTP)2 electroderesearch_0188__mat__mat_cu3hhtp2 | Electrode · Target Sample · Composite | Composite cathode after 500 cycles at 4000 mA g^-1 and fully charged for ex situ PXRD/XPS.stainless steel SUS 304 foil | rendered pages 5 and 6 / article pp.5-6 · Electronic states; Structure analysis · Figures 4b, 4c and 5a |
| Cu3(HHTP)2 monolayer DFT modelresearch_0188__mat__mat_cu3hhtp2_model | Model · Model System · Model | PBE/PAW/VASP monolayer calculation with extra electrons or ion substitution depending on simulation.monolayer with approximately 20 A vacuum layer | rendered page 8 / article p.8 · Methods - DFT calculations · Supplementary Figs. 11 and 13 |
| as-synthesised Cu3(HHTP)2 powder / nanorodsresearch_0188__mat__mat_cu3hhtp2 | Powder · Pristine Control · Pristine Framework | Prepared according to a previously reported procedure, washed with deionised H2O and Me2CO, respectively, and dried in air. | rendered page 8 / article p.8 · Methods - Materials |
| Cu3(HHTP)2 powder pressed pelletresearch_0188__mat__mat_cu3hhtp2 | Pellet · Pristine Control · Pristine Framework | Pressed pellet measured by the two-point probe method at 25 deg C. | rendered pages 2 and 8 / article pp.2 and 8 · Results; Methods - Characterization |
| Cu3(HHTP)2 single crystal literature referenceresearch_0188__mat__mat_cu3hhtp2 | Single Crystal · Pristine Control · Pristine Framework | Literature single-crystal sample cited from reference 28, not prepared or measured first-hand in this work. | rendered page 2 / article p.2 · Introduction |
| fully discharged Cu3(HHTP)2 electroderesearch_0188__mat__mat_zn_loaded_cu3hhtp2 | Electrode · Target Sample · Guest Loaded | Cu3(HHTP)2 composite cathode after Zn2+ insertion/discharge; cells opened and rinsed with deionised H2O inside a glove-box for ex situ characterisation.stainless steel SUS 304 foil | rendered pages 6 and 8 / article pp.6 and 8 · Structure analysis during discharge-charge; Methods - Characterization · Figure 5 |
| Cu3(HHTP)2 cathode electrode, 60:20:20research_0188__mat__mat_cu3hhtp2 | Electrode · Composite Sample · Composite | Slurry of Cu3(HHTP)2:acetylene black:PVDF = 60:20:20 in NMP, cast on SUS 304 foil and dried at 70 deg C under vacuum; active material loading 2 mg cm^-2.stainless steel SUS 304 foil | rendered page 8 / article p.8 · Methods - Electrochemical tests |
| Cu3(HHTP)2 high-active-loading cathode electrode, 90:5:5research_0188__mat__mat_cu3hhtp2 | Electrode · Composite Sample · Composite | Slurry of Cu3(HHTP)2:acetylene black:PVDF = 90:5:5 in NMP, cast on SUS 304 foil and dried at 70 deg C under vacuum.stainless steel SUS 304 foil | SI p.4 · Supplementary Fig. 5 caption · Supplementary Fig. 5 |
| Zn-Cu3(HHTP)2 coin cellresearch_0188__mat__mat_cu3hhtp2 | Electrode · Target Sample · Composite | Two-electrode coin cell comprising Cu3(HHTP)2 cathode and Zn-film anode; electrolyte 3 M Zn(CF3SO3)2 in water unless otherwise stated.Zn film anode and SUS-supported cathode · Zn-film anode 100 um | rendered page 8 / article p.8 · Methods - Electrochemical tests · Figure 1a |