Yin J., Li N., Liu M. et al. · Advanced Functional Materials · 2023 · 2211950
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.
Embedding HATN into the 2D c-MOF improves insolubility, charge-transfer kinetics and electrochemical reversibility relative to HATN and 6OH-HATN controls.
Caveat: Control electrodes include conductive carbon and binder, so electrode-level comparisons are composite measurements rather than neat molecular conductivities.
6 · Results and Discussion · Figure 3d-e; Figures S30-S32 · Linked to 7 structured results
Cu-HATN delivers high LIB anode capacity, rate capability and cycling stability compared with HATN-based controls and reported 2D c-MOF anodes.
Caveat: Application data are electrode-composite half-cell results, not neat-framework transport values.
5-6 · Results and Discussion · Figure 3; Table S1 · Linked to 6 structured results
Cu-HATN is a semiconducting 2D conductive MOF with ordered 1D channels and measurable pressed-pellet conductivity.
Caveat: Electrical conductivity is moderate and measured by two-contact probe on a pressed pellet; contact resistance may contribute.
2-3 · Results and Discussion · Figures 1-2; Figures S18-S19 · Linked to 5 structured results
Both HATN C=N sites and CuO4 C=O sites act as Li storage active sites in Cu-HATN, enabling a multi-step lithiation mechanism.
Caveat: Mechanistic assignment relies on ex situ spectroscopy and DFT, not in situ structure refinement.
7 · Results and Discussion · Figure 4; Figure 5 · Linked to 8 structured results
Li+ preferentially binds to C=O active sites in the CuO4 unit before broader C=N site lithiation.
Caveat: Preference is inferred from binding-energy differences and ex situ spectral evolution.
7 · Results and Discussion · Figure 4g; Table S2 · Linked to 4 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| 6OH-HATN | dihydroxy-functionalised HATN ligand; exact formula not reported in textortho-hydroxy functionalised HATN molecule | 0D · PristineSmall-molecule ligand/control used to form Cu-HATN and as an organic electrode control. | 7 · Synthesis and Characterization · Figures S5-S6 |
| Cu-HATN | Cu-based 2D conductive MOF from 6OH-HATN and Cu2+; exact empirical formula not reportedCuO4 units / Cu catecholate nodes; mixed Cu2+ and Cu+ signals reported · diquinoxalino[2,3-a:2',3'-c]phenazine-2,3,8,9,14,15-hexaol (6OH-HATN) | 2D · PristineAA-stacked honeycomb 2D c-MOF with ordered 1D channels; P6/mmm space group; a=b=29.953 Angstrom, c=3.340 Angstrom. | 2 · Results and Discussion · Figure 2a,b |
| lithiated Cu-HATN model series | Cu-HATN, Cu-HATN+12Li, Cu-HATN+36Li, Cu-HATN+48LiCuO4 units retained in model structures · HATN-derived framework units | 2D · Model SystemDFT-optimised monolayer lithiation states used for Li storage mechanism. | 7 · Results and Discussion · Figure 5 and Figure S39 |
| HATN | hexaazatrinaphthalene; exact formula not reported in texthexaazatrinaphthalene molecule | 0D · PristineSmall-molecule organic electrode control. | 8 · Synthesis and Characterization · Figures S7-S8 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| 6OH-HATN electroderesearch_0336__mat__mat_6oh_hatn | Electrode · Pristine Control · Composite | 6OH-HATN/Ketjen Black/CMC slurry cast on copper foil; active material loading 0.7-1.0 mg cm^-2; R2032 coin cells versus Li.copper foil | 3 · Electrochemical Measurements |
| 6OH-HATN powderresearch_0336__mat__mat_6oh_hatn | Powder · Pristine Control · Pristine Framework | Synthesised ligand/control powder. | 7 · Synthesis of 6OH-HATN · Figures S5-S6 |
| DFT model of Cu-HATN+12Liresearch_0336__mat__mat_cu_hatn_lithiated_models | Model · Model System · Model | Optimised model with 12 Li+ ions at C=O sites. | 7 · Results and Discussion · Figure 5 and Table S2 |
| DFT model of Cu-HATN+36Liresearch_0336__mat__mat_cu_hatn_lithiated_models | Model · Model System · Model | Optimised model with 36 Li+ ions at C=N sites. | 7 · Results and Discussion · Figure 5 and Table S2 |
| DFT model of Cu-HATN+48Liresearch_0336__mat__mat_cu_hatn_lithiated_models | Model · Model System · Model | Optimised fully lithiated model with 48 Li+ ions. | 7 · Results and Discussion · Figure 5 and Table S2 |
| Cu-HATN electroderesearch_0336__mat__mat_cu_hatn | Electrode · Target Sample · Composite | Cu-HATN/Ketjen Black/CMC slurry cast on copper foil; active material loading 0.7-1.0 mg cm^-2; assembled in R2032 coin cells versus Li.copper foil | 3 · Electrochemical Measurements |
| DFT model of pristine Cu-HATNresearch_0336__mat__mat_cu_hatn_lithiated_models | Model · Model System · Model | Spin-polarised DFT model for pristine Cu-HATN. | 3-4 · Theoretical Capacity Calculation · Table S2 |
| pressed Cu-HATN bulk pelletresearch_0336__mat__mat_cu_hatn | Pellet · Target Sample · Pristine Framework | Pressed bulk sample measured under ambient conditions by two-contact probe. | 3 · Results and Discussion · Figure S19 |
| Cu-HATN powderresearch_0336__mat__mat_cu_hatn | Powder · Target Sample · Pristine Framework | Black powders obtained by hydrothermal synthesis and dried at 120 deg C overnight. | 9-10 · Synthesis of Cu-HATN · Scheme S2 |
| HATN electroderesearch_0336__mat__mat_hatn | Electrode · Pristine Control · Composite | HATN/Ketjen Black/CMC slurry cast on copper foil; active material loading 0.7-1.0 mg cm^-2; R2032 coin cells versus Li.copper foil | 3 · Electrochemical Measurements |
| HATN powderresearch_0336__mat__mat_hatn | Powder · Pristine Control · Pristine Framework | Synthesised small-molecule HATN control. | 8 · Synthesis of hexaazatrinaphthalene (HATN) · Figures S7-S8 |