Ross R.D., Sheng H., Ding Y. et al. · Journal of the American Chemical Society · 2022 · 15845-15854
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.
For bulk electrolysis, 0.5 V vs RHE gives the best final Faradaic efficiency reported here (73%), whereas 0.4 V vs RHE gives the highest H2O2 concentration/yield (662 ppm, 86.2 umol) at lower FE.
Caveat: Values are for the reported 5 mL H-cell, about 1 cm2 Ni-HAB/CFP electrode and 90 min runs.
15851-15852 · Bulk Electrochemical Synthesis and Conclusions · Figure 5 · Linked to 4 structured results
Ni3HAB2 is an active and selective 2e- ORR catalyst for H2O2 electrosynthesis in buffered neutral electrolyte.
Caveat: Bulk electrolysis shows a concentration/Faradaic-efficiency tradeoff as potential approaches the linker redox region.
15852 · Conclusions · Linked to 3 structured results
At E > Eredox, Ni does not directly contribute to the selective ORR; organic linker sites dominate the primary 2e- ORR mechanism.
Caveat: The paper describes the mechanism as a hypothesis supported by XAS, KSCN poisoning and DFT; exact active-site pathway remains not fully definitive.
15851-15852 · Mechanisms and Conclusions · Scheme 1 · Linked to 3 structured results
Under O2-saturation the Ni-HAB local structure is comparatively stable, while oxygenate adsorbates appear at cathodic potentials and disrupt coordination below about 0.3 V vs RHE.
Caveat: Oxygenate assignment is tentative and based on EXAFS fitting plus DFT-predicted distances.
15849 · Operando XAS · Figure 3; Figures S12-S22 · Linked to 4 structured results
Oxygen exposure during Ni-HAB growth controls crystallite/morphology, with direct air growth producing the nanostructured morphology used for measurements.
Caveat: Growth-time details for film morphology study are incomplete, but powder synthesis route is complete.
S8 · Supporting Figures · Figure S1 · Linked to 2 structured results
The HAB linker redox process at Eredox around 0.29 V vs RHE contributes non-ORR disk current and changes ORR mechanism/selectivity.
Caveat: The authors infer interaction between ORR and redox current from RRDE and Ar-subtracted LSV rather than separating every elementary step directly.
15847 · Rotating Ring-Disk Electrode Measurements · Figure 2; Figure S6-S7 · Linked to 3 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| Carbon fibre paper | C-based carbon fibre paper | unknown · UnknownConductive substrate/control electrode. | S2 · Chemicals and Materials |
| Cu-HABBrowse family: Cu₃(HAB)₂ / Cu–HAB | Cu3HAB2 inferred from M3HAB2 family; exact formula not restated for this sampleCu-N4 nodes · Hexaaminobenzene / HAB | 2D · PristineDirectly analogous structure to Ni-HAB; PXRD shown with Ni-HAB and Ni-HITP. | 15847 · Results · Figure S3 and Figure S8 |
| Ni-HAB / Ni3HAB2Browse family: Ni₃(HAB)₂ / Ni–HAB | Ni3HAB2 (HAB = hexaaminobenzene)Square-planar Ni-N4 nodes; Ni sites described as initially +2 under O2-saturated operation · Hexaaminobenzene / HAB | 2D · PristineEclipsed pi-pi stacked two-dimensional conductive MOF; experimental PXRD agrees with simulated Ni-HAB pattern; TEM gives (100) spacing near 1.18 nm. | 15845-15846 · Abstract and Results · Figure 1 |
| Ni-HAB on carbon fibre paperBrowse family: Ni₃(HAB)₂ / Ni–HAB | Ni3HAB2/Nafion/carbon fibre paper composite electrodeNi-N4 nodes in Ni-HAB on conductive CFP support · HAB linker in Ni-HAB; Nafion binder present in electrode | 2D · CompositeComposite working electrode prepared by drop-casting Ni-HAB catalyst dispersion on plasma-treated carbon fibre paper. | 15848 · Operando XAS · Figure 3 |
| DFT model systems of Ni-HAB and reduced Ni-HABBrowse family: Ni₃(HAB)₂ / Ni–HAB | Ni-HAB monolayer and reduced cis/trans Ni-HAB monolayersNi sites in monolayer models · HAB linker, including reduced cis and trans nitrogen-site models | 2D · Model SystemComputational monolayer slab models for *OOH adsorption calculations. | S5 · Computational Methods · Figures S20-S21 |
| Ni-HITP / Ni3HITP2Browse family: Ni₃(HITP)₂ / Ni–HITP | Ni3HITP2 (HITP = hexaiminotriphenylene)Ni-N4 nodes · 2,3,6,7,10,11-hexaaminotriphenylene-derived HITP/HATP linker | 2D · PristineConductive 2D MOF with a similar Ni-N4 motif to Ni-HAB, used as comparison catalyst. | 15847 · Results · Figure S8 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| Blank CFP electroderesearch_0828__mat__mat_cfp | Electrode · Pristine Control · Unknown | CFP electrode with no catalyst loading used for bulk electrolysis control.carbon fibre paper | S26 · Supporting Figures · Figure S31 |
| Cu-HAB powderresearch_0828__mat__mat_cu_hab | Powder · Pristine Control · Pristine Framework | Black powder synthesised in open air and vacuum dried. | S2 · Synthesis of Cu-HAB Powder |
| DFT Ni-HAB monolayerresearch_0828__mat__mat_ni_hab_dft_models | Model · Model System · Model | Quantum Espresso/ASE monolayer model.vacuum slab model · monolayer; vacuum gap at least 10 Angstrom | S5 · Computational Methods |
| DFT reduced cis/trans Ni-HAB monolayersresearch_0828__mat__mat_ni_hab_dft_models | Model · Model System · Model | Reduced nitrogen-site models relaxed by DFT.vacuum slab model · monolayer; a=b 16.5 Angstrom trans and 17.0 Angstrom cis | S5 · Computational Methods · Figures S20-S21 |
| Ni-HAB/CFP electroderesearch_0828__mat__mat_ni_hab_cfp | Electrode · Target Sample · Composite | Ni-HAB dispersed in ethanol/Nafion or water/Nafion, drop-cast onto CFP; used in H-cell under O2 or Ar.plasma-treated carbon fibre paper · 400 uL of 10 ugcat/uL suspension on about 4 cm2 for XAS; about 1 cm2 active area for bulk electrolysis | S4 and S6 · Operando XAS Measurements; Bulk Electrolysis Experiments · Figure S28 |
| Ni-HAB/Nafion EQCM crystalresearch_0828__mat__mat_ni_hab | Electrode · Target Sample · Composite | 137 uL Ni-HAB suspension drop-cast onto QCM electrode.5 MHz chrome/gold QCM crystal · 100 ug/cm2 loading density on 1.37 cm2 active area | S5-S6 · EQCM Measurement · Figure S26 |
| Ni-HAB films with varied oxygen diffusionresearch_0828__mat__mat_ni_hab | Thin Film · Pristine Control · Pristine Framework | Aqueous Ni nitrate/EDA solution and HAB.3HCl solution combined under nitrogen, then exposed to different oxygen-diffusion conditions.petri dish / growth container; no conductive substrate specified · not reported | S2-S3 · Synthesis of Ni-HAB Films · Figure S1 |
| Ni-HAB powderresearch_0828__mat__mat_ni_hab | Powder · Target Sample · Pristine Framework | Black powder synthesised in open air, filtered, washed with water and acetone, vacuum dried.nanoscale powder; no film thickness reported | S2 · Synthesis of Ni-HAB Powder |
| Ni-HAB RRDE disk catalyst filmresearch_0828__mat__mat_ni_hab | Electrode · Target Sample · Composite | Ni-HAB dispersed in 1:9 v:v Nafion solution in nanopure water and drop-cast/spun dry on RRDE disk.rotating ring-disk electrode disk · 10 uL of approximately 3 ugcat/uL catalyst suspension; dry film formed at 700 rpm | S3 · Rotating Ring Disk Electrode Measurements |
| Ni-HITP powderresearch_0828__mat__mat_ni_hitp | Powder · Pristine Control · Pristine Framework | Black powder synthesised in open air and vacuum dried. | S2 · Synthesis of Ni-HITP Powder |