Park J., Chen Z., Flores R.A. et al. · ACS Applied Materials and Interfaces · 2020 · 39074-39081
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-HAB is substantially less chemically and electrochemically stable than Ni-HAB under the tested alkaline ORR conditions.
Caveat: The Cu-HAB synthesis recipe and exact crystallinity control are not reported in the supplied documents.
39076; 39078 · Results and Discussion; Conclusions · Figure S2; Figure S3 · Linked to 2 structured results
Higher crystallinity in Ni-HAB-H correlates with over an order of magnitude higher bulk conductivity and better ORR onset/stability than Ni-HAB-L.
Caveat: ORR measurements use Nafion-bound drop-cast electrodes; intrinsic active-site identity is inferred rather than directly isolated experimentally.
39077-39078 · Electrical Conductivity of M-HAB; Conclusions · Figure 3 · Linked to 6 structured results
The improved ORR performance of Ni-HAB-H is unlikely to arise from BET surface area, because Ni-HAB-H has lower BET surface area than Ni-HAB-L.
Caveat: BET values do not by themselves quantify accessible electrochemical active sites; ECSA values are comparable but not identical.
39077-39078 · Electrical Conductivity of M-HAB · Figure 2b · Linked to 3 structured results
DFT suggests that the in-plane HAB linker/bridge site, rather than the metal site, is the preferred active centre for ORR on Ni-HAB.
Caveat: The active-site assignment is computational; direct in situ experimental confirmation is proposed for future work.
39078 · Theoretical Activity of M-HAB; Conclusions · 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 |
|---|---|---|---|
| Cu-HABBrowse family: Cu₃(HAB)₂ / Cu–HAB | Cu-HAB 2D M-N4/HAB framework; empirical formula not statedCu species in square-planar M-N4 units · hexaaminobenzene (HAB) | 2D · PristineConductive 2D M-HAB framework with Cu as the metal species; PXRD is stated to agree with previously reported 2D honeycomb eclipsed structures. | 39076 · Results and Discussion - Synthesis of Ni-HAB-H and Ni-HAB-L · Figure 2; Figure S3 |
| Ni-HABBrowse family: Ni₃(HAB)₂ / Ni–HAB | Ni-HAB 2D M-N4/HAB framework; empirical formula not statedNi species in square-planar M-N4 units · hexaaminobenzene (HAB) | 2D · PristineConductive 2D metal-organic framework with HAB linkers bridged by transition-metal M-N4 units and an underlying (2,3)-honeycomb eclipsed structure. | 39076 · Results and Discussion - Synthesis of Ni-HAB-H and Ni-HAB-L · Figure 1 |
| Ni-HITP comparison modelBrowse family: Ni₃(HITP)₂ / Ni–HITP | Ni-HITP 2D MOF model; empirical formula not statedNi(II) nodes · hexaiminotriphenylene (HITP) | 2D · Model SystemClosely related conductive 2D MOF with larger nanopores and honeycomb structure, included as a computational comparison. | 39078 · Theoretical Activity of M-HAB · Figure 4 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| Cu-HAB drop-cast GC electroderesearch_0579__mat__mat_cu_hab | Electrode · Target Sample · Composite | Prepared through an ink-based drop-casting process similar to Ni-HAB-H and Ni-HAB-L.glassy carbon disk working electrode | S3 · Section 3. RRDE measurement for Cu-HAB · Figure S3 |
| Cu-HAB DFT modelresearch_0579__mat__mat_cu_hab | Model · Model System · Model | Periodic 2D-MOF computational cell with adsorbed ORR intermediates. | S9 · Tabulated DFT Data · Supplementary Table S2 |
| Cu-HAB powderresearch_0579__mat__mat_cu_hab | Powder · Target Sample · Pristine Framework | As-synthesised Cu-HAB; synthesis recipe not provided in supplied main/SI documents. | 39076 · Results and Discussion · Figure S2; Figure S3 |
| Ni-HAB-H drop-cast GC electroderesearch_0579__mat__mat_ni_hab | Electrode · Target Sample · Composite | Ink of 1 mg catalyst, ethanol and cation-exchanged Nafion 117 drop-cast in two 5 uL aliquots; final loading 0.51 mg/cm2.glassy carbon disk working electrode | 39079 · Electrochemical Characterizations · Figure 3 |
| Ni-HAB-H pellet for four-point proberesearch_0579__mat__mat_ni_hab | Pellet · Target Sample · Pristine Framework | Pelletised powder prepared by cold isostatic pressing; degassed under vacuum before conductivity measurement.glass slide during four-point-probe measurement · 200-300 um | 39077; 39079 · Electrical Conductivity of M-HAB; Electrical Conductivity Measurements |
| Ni-HAB-H high-crystallinity powderresearch_0579__mat__mat_ni_hab | Powder · Target Sample · Pristine Framework | High-crystallinity black powder synthesised in DMF/water at 75 C and dried under vacuum at 80 C. | 39076; 39078-39079 · Synthesis of Ni-HAB-H with High Crystallinity · Figure 2 |
| Ni-HAB-L drop-cast GC electroderesearch_0579__mat__mat_ni_hab | Electrode · Target Sample · Composite | Ink of 1 mg catalyst, ethanol and cation-exchanged Nafion 117 drop-cast in two 5 uL aliquots; final loading 0.51 mg/cm2.glassy carbon disk working electrode | 39079 · Electrochemical Characterizations · Figure 3 |
| Ni-HAB-L pellet for four-point proberesearch_0579__mat__mat_ni_hab | Pellet · Target Sample · Pristine Framework | Pelletised powder prepared by cold isostatic pressing; degassed under vacuum before conductivity measurement.glass slide during four-point-probe measurement · 200-300 um | 39077; 39079 · Electrical Conductivity of M-HAB; Electrical Conductivity Measurements |
| Ni-HAB-L low-crystallinity powderresearch_0579__mat__mat_ni_hab | Powder · Target Sample · Pristine Framework | Low-crystallinity black powder synthesised in water at room temperature and dried under vacuum at 80 C. | 39076; 39079 · Synthesis of Ni-HAB-L with Low Crystallinity · Figure 2 |
| Ni-HAB DFT modelresearch_0579__mat__mat_ni_hab | Model · Model System · Model | Periodic 2D-MOF computational cell with 15 angstrom vacuum and adsorbed ORR intermediates. | S4-S9 · Theoretical DFT Study · Supplementary Table S2 |
| Ni-HITP DFT comparison modelresearch_0579__mat__mat_ni_hitp_model | Model · Model System · Model | Periodic 2D-MOF computational model used for comparison to Ni-HAB. | S9 · Tabulated DFT Data · Supplementary Table S2 |