Gu S., Bai Z., Majumder S. et al. · Journal of Power Sources · 2019 · 22-29
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.
Co3(HHTP)2 is ineffective as a cathode in this voltage window because Co2+ is difficult to reduce, highlighting the importance of the redox-active copper centre.
Caveat: The plotted capacity is a visual estimate, while the no-meaningful-capacity statement is caption/text supported.
5 · 3.3. Lithium ion insertion-desertion discussion · Fig. S6 · Linked to 2 structured results
Capacity decay is attributed to incomplete re-oxidation of Cu+ to Cu2+ and possible reaction of inserted Li+ with hydroxyl groups, especially at lower current rates with longer reaction times.
Caveat: Mechanistic attribution is based on post-cycling XPS and qualitative interpretation, not direct quantification of irreversible Cu species.
6 · 3.5. Capacity decay mechanism · Fig. 7 · Linked to 3 structured results
The high-rate cathode performance is attributed to intrinsic electrical conductivity of Cu3(HHTP)2 and its open porous layered framework providing lithium-ion transport pathways.
Caveat: Conductivity is discussed qualitatively without a numeric conductivity measurement in this article.
7 · 4. Conclusions · Linked to 5 structured results
DFT calculations indicate lithium adherence between layers with only slight angle changes and negligible changes in other lattice parameters, supporting framework stability during lithium insertion.
Caveat: DFT lattice parameters are exact SI table values, but the mechanistic interpretation remains model-based.
7 · 3.6. Lithium ion insertion-desertion revealed from DFT · Fig. 8; Table S2 · Linked to 8 structured results
Lithium insertion/extraction is coupled to reversible Cu2+/Cu+ redox in the framework, with one Li+ associated with reduction of one Cu2+ to Cu+ during discharge.
Caveat: The authors describe Li as adhered to the framework rather than strongly bonded to Cu or O based on XAS/EXAFS.
5 · 3.3. Lithium ion insertion-desertion discussion · Fig. 4-Fig. 5 · Linked to 6 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| Co3(HHTP)2Browse family: Co₃(HHTP)₂ / Co–HHTP | Co3(HHTP)2Co cations · 2,3,6,7,10,11-hexahydroxytriphenylene (HHTP) | 2D · PristineCobalt analogue of the HHTP framework, prepared under the same conditions for comparison. | 5 · 3.3. Lithium ion insertion-desertion discussion · Fig. S6 |
| Cu3(2,3,6,7,10,11-hexahydroxytriphenylene)2Browse family: Cu₃(HHTP)₂ / Cu–HHTP | Cu3(HHTP)2Cu2+ single-ion secondary building units; redox-active Cu2+/Cu+ centres · 2,3,6,7,10,11-hexahydroxytriphenylene (HHTP) tricatecholate | 2D · PristineLayered 2D hexagonal conductive MOF with slipped-parallel stacking along the c-axis. | 1 · Abstract |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| Co3(HHTP)2 cathode electroderesearch_0273__mat__co3_hhtp2 | Electrode · Pristine Control · Composite | Cobalt analogue cathode tested galvanostatically at 1C.aluminium foil current collector | Supplementary figures and tables · Fig. S6 |
| Co3(HHTP)2 crystalline powderresearch_0273__mat__co3_hhtp2 | Powder · Pristine Control · Pristine Framework | Synthesised using the Cu3(HHTP)2 procedure with cobalt acetate substituted for copper acetate; heated at 150 degC for 4 h before cathode use. | 2 · 2.2. Synthesis and activation of Cu3(HHTP)2 |
| Cu3(HHTP)2 cathode electroderesearch_0273__mat__cu3_hhtp2 | Electrode · Target Sample · Composite | 80 wt% Cu3(HHTP)2 and 20 wt% PVDF binder in NMP, ball-milled slurry coated on aluminium foil and vacuum dried.aluminium foil current collector | 3 · 2.4. Fabrication of the electrodes and batteries |
| Heat-treated Cu3(HHTP)2 powderresearch_0273__mat__cu3_hhtp2 | Powder · Target Sample · Pristine Framework | Heated/de-gassed state after guest solvent removal; SI specifically describes 150 degC heating. | Supplementary figures and tables · Fig. S1-S2 |
| Pristine Cu3(HHTP)2 DFT modelresearch_0273__mat__cu3_hhtp2 | Model · Model System · Model | Relaxed first-principles model modified from reported Cu3(HITP)2 bulk. | 3 · 2.5. Theoretical calculations |
| Cu3(HHTP)2 crystalline powderresearch_0273__mat__cu3_hhtp2 | Powder · Target Sample · Pristine Framework | As-synthesised dark-blue crystalline powder, washed and solvent-exchanged/activated. | 2 · 2.2. Synthesis and activation of Cu3(HHTP)2 |
| Delithiated Cu3(HHTP)2 cathode after 500 cyclesresearch_0273__mat__cu3_hhtp2 | Electrode · Target Sample · Composite | Cells cycled for 500 cycles at 1C or 20C, finished in the delithiated state before XPS.aluminium foil current collector | 6 · 3.5. Capacity decay mechanism · Fig. 7 |
| Lithiated Cu3(HHTP)2 cathoderesearch_0273__mat__cu3_hhtp2 | Electrode · Target Sample · Guest Loaded | Electrochemically lithiated/discharged Cu3(HHTP)2 cathode state.aluminium foil current collector | 5 · 3.3. Lithium ion insertion-desertion discussion · Fig. 4 |
| Lithiated Cu3(HHTP)2 DFT modelresearch_0273__mat__cu3_hhtp2 | Model · Model System · Model | DFT model with Li atoms randomly added around Cu sites in the lithiated phase. | 3 · 2.5. Theoretical calculations |