Huang H., Zhao Y., Bai Y. et al. · Advanced Science · 2020 · 2000012
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.
Ni3(Ni3.HAHATN)2 is the best HER catalyst in this series, combining eta10 = 115 mV, Tafel slope = 45.6 mV dec-1 and 21.2 mA cm-2 at -0.15 V.
Caveat: Application performance is for drop-cast RDE catalyst films with Nafion binder, not purely pristine powder alone.
main p.4-6, article p.2000012-4 to 6 · Results and Discussion · Figure 4; Table 1 · Linked to 5 structured results
Ni3(Ni3.HAHATN)2 retains HER activity and framework morphology after cycling and chronoamperometry, supporting catalyst durability.
Caveat: Long-term durability evidence is limited to 10 h chronoamperometry and 1000 CV cycles.
main p.7, article p.2000012-7 · Results and Discussion · Figure 6; Figures S27-S28 · Linked to 4 structured results
Ni3(Ni3.HAHATN)2 is assigned as a crystalline 2D P6/mmm fully conjugated conductive MOF with hexagonal pores and about 3.43 A interlayer spacing.
Caveat: Assignment relies on simulated PXRD/geometric optimisation rather than reported single-crystal structure or CIF.
main p.2-3, article p.2000012-2 to 3 · Results and Discussion · Figure 1 · Linked to 6 structured results
The extra M1-N2 moiety is identified as the major HER-active centre, outperforming traditional M2-N4 linkages because it is more unsaturated and has more favourable hydrogen adsorption.
Caveat: Active-site attribution is inferred from DFT site models and comparative electrocatalysis rather than direct operando site-specific proof.
main p.7, article p.2000012-7 · Conclusion · Figure 5 · Linked to 10 structured results
Using pre-metalated HAHATN ligands enables bimetallic-site conductive M23(M13.HAHATN)2 MOFs with M1-N2 extra sites and M2-N4 framework linkages.
Caveat: The chemical structures for variants are supported by FTIR, XRD, microscopy, EDS, XPS and DFT optimisation; no crystallographic CIF is supplied in the assigned documents.
main p.4, article p.2000012-4 · Results and Discussion · Figures S9-S23 · Linked to 2 structured results
The conjugated ligand and Ni-N4 linkages are claimed to impart Ni3(Ni3.HAHATN)2 with a fully pi-conjugated framework and excellent electrical conductivity for electron transfer.
Caveat: Four-point conductivity is reported for a compressed pellet, not an intrinsic single-crystal or oriented-film value; the paper text appears to contain a conductivity unit typo.
main p.3, article p.2000012-3 · Results and Discussion · Figure 3d · Linked to 2 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| Co3.HAHATN ligand precursor | Co3.HAHATNCo atoms coordinated by HAHATN bidentate sites · HAHATN | 0D · UnknownSelective coordinated metalated ligand precursor containing Co-N2 moieties. | main p.8, article p.2000012-8 · Experimental Section |
| Cu3(Cu3.HAHATN)2 conductive MOF | Cu3(Cu3.HAHATN)2Cu-N4 framework linkages and Cu-N2 extra metal sites. · Cu3.HAHATN metalated conjugated ligand | 2D · Pristine2D fully conjugated M23(M13.HAHATN)2 framework, P6/mmm symmetry by geometry optimisation. | SI p.7 · Supporting Information · Figure S9 |
| Cu3.HAHATN ligand precursor | Cu3.HAHATNCu atoms coordinated by HAHATN bidentate sites · HAHATN | 0D · UnknownSelective coordinated metalated ligand precursor containing Cu-N2 moieties. | main p.8, article p.2000012-8 · Experimental Section |
| Hexaiminohexaazatrinaphthalene ligand | HAHATN; exact empirical formula not stated in textNone · Hexaiminohexaazatrinaphthalene, an HATN analogue used as conjugated ligand precursor | 0D · UnknownMolecular conjugated ligand precursor for bimetallic-site conductive MOFs. | main p.7, article p.2000012-7 · Experimental Section |
| Ni3(Co3.HAHATN)2 conductive MOF | Ni3(Co3.HAHATN)2Ni-N4 framework linkages and Co-N2 extra metal sites. · Co3.HAHATN metalated conjugated ligand | 2D · Pristine2D fully conjugated M23(M13.HAHATN)2 framework, P6/mmm symmetry by geometry optimisation. | main p.4, article p.2000012-4 · Results and Discussion · Figures S9-S23 |
| Ni3(Cu3.HAHATN)2 conductive MOF | Ni3(Cu3.HAHATN)2Ni-N4 framework linkages and Cu-N2 extra metal sites. · Cu3.HAHATN metalated conjugated ligand | 2D · Pristine2D fully conjugated M23(M13.HAHATN)2 framework, P6/mmm symmetry by geometry optimisation. | main p.4, article p.2000012-4 · Results and Discussion · Figures S9-S23 |
| Ni3.HAHATN ligand precursor | Ni3.HAHATNNi atoms coordinated by HAHATN bidentate sites · HAHATN | 0D · UnknownSelective coordinated metalated ligand precursor containing Ni-N2 moieties. | main p.8, article p.2000012-8 · Experimental Section |
| Ni3(HITP)2 conductive MOFBrowse family: Ni₃(HITP)₂ / Ni–HITP | Ni3(HITP)2Ni-N4 linkages · HITP, hexaiminotriphenylene | 2D · PristineTraditional conductive HITP-based MOF control with Ni-N4 linkages and no extra M-N2 sites. | main p.8, article p.2000012-8 · Experimental Section |
| Ni3(Ni3.HAHATN)2 conductive MOF | Ni3(Ni3.HAHATN)2Ni-N4 linkages construct the 2D framework; extra Ni-N2 moieties reside in in-plane mesopores. · Ni3.HAHATN metalated conjugated ligand | 2D · PristineP6/mmm 2D fully conjugated hexagonal framework; a = b about 29.5 A, interlayer separation about 3.43 A, in-plane pore about 2.7 nm. | main p.2, article p.2000012-2 · Results and Discussion · Scheme 1; Figure 1 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| Co3.HAHATN ligand batchresearch_0513__mat__co3_hahatn_ligand | Powder · Paper Level Unspecified · Unknown | Prepared by the Ni3.HAHATN method with cobalt chloride. | main p.8, article p.2000012-8 · Experimental Section |
| DFT Cu3(Cu3.HAHATN)2 slabresearch_0513__mat__cu3_cu3_hahatn2 | Model · Model System · Model | Geometry-optimised DFT model.not_applicable · Single-layer slab with 30 A vacuum layer. | main p.8, article p.2000012-8 · Experimental Section |
| Cu3(Cu3.HAHATN)2 nanosheetsresearch_0513__mat__cu3_cu3_hahatn2 | Nanosheet · Target Sample · Pristine Framework | Washed MOF product; characterised by FTIR, XRD, TEM, SEM, EDX, XPS and HER testing.1-2 nm from TEM for M23(M13.HAHATN)2 variants. | SI p.12 · Supporting Information · Figure S16 |
| Cu3(Cu3.HAHATN)2 modified rotating disk electroderesearch_0513__mat__cu3_cu3_hahatn2 | Electrode · Composite Sample · Composite | Drop-cast catalyst ink dried in vacuum and fixed with Nafion ethanol solution.3 mm glassy carbon rotating disk electrode · 10 uL ink from 8 mg catalyst in 2 mL water/DMF; 5 uL Nafion ethanol solution overlayer. | main p.8, article p.2000012-8 · Experimental Section |
| Cu3.HAHATN ligand batchresearch_0513__mat__cu3_hahatn_ligand | Powder · Paper Level Unspecified · Unknown | Prepared by the Ni3.HAHATN method with cupric chloride. | main p.8, article p.2000012-8 · Experimental Section |
| HAHATN ligand batchresearch_0513__mat__hahatn_ligand | Powder · Paper Level Unspecified · Unknown | Microwave-synthesised ligand; recrystallised in ethanol and washed with ether. | main p.7-8, article p.2000012-7 to 8 · Experimental Section |
| DFT Ni3(Co3.HAHATN)2 slabresearch_0513__mat__ni3_co3_hahatn2 | Model · Model System · Model | Geometry-optimised DFT model.not_applicable · Single-layer slab with 30 A vacuum layer. | main p.8, article p.2000012-8 · Experimental Section |
| Ni3(Co3.HAHATN)2 nanosheetsresearch_0513__mat__ni3_co3_hahatn2 | Nanosheet · Target Sample · Mixed Metal | Washed MOF product; characterised by FTIR, XRD, TEM, SEM, EDX, XPS and HER testing.1-2 nm from TEM for M23(M13.HAHATN)2 variants. | main p.4, article p.2000012-4 · Results and Discussion · Figures S16-S23 |
| Ni3(Co3.HAHATN)2 modified rotating disk electroderesearch_0513__mat__ni3_co3_hahatn2 | Electrode · Composite Sample · Composite | Drop-cast catalyst ink dried in vacuum and fixed with Nafion ethanol solution.3 mm glassy carbon rotating disk electrode · 10 uL ink from 8 mg catalyst in 2 mL water/DMF; 5 uL Nafion ethanol solution overlayer. | main p.8, article p.2000012-8 · Experimental Section |
| DFT Ni3(Cu3.HAHATN)2 slabresearch_0513__mat__ni3_cu3_hahatn2 | Model · Model System · Model | Geometry-optimised DFT model.not_applicable · Single-layer slab with 30 A vacuum layer. | main p.8, article p.2000012-8 · Experimental Section |
| Ni3(Cu3.HAHATN)2 nanosheetsresearch_0513__mat__ni3_cu3_hahatn2 | Nanosheet · Target Sample · Mixed Metal | Washed MOF product; characterised by FTIR, XRD, TEM, SEM, EDX, XPS and HER testing.1-2 nm from TEM for M23(M13.HAHATN)2 variants. | SI p.12 · Supporting Information · Figure S16 |
| Ni3(Cu3.HAHATN)2 modified rotating disk electroderesearch_0513__mat__ni3_cu3_hahatn2 | Electrode · Composite Sample · Composite | Drop-cast catalyst ink dried in vacuum and fixed with Nafion ethanol solution.3 mm glassy carbon rotating disk electrode · 10 uL ink from 8 mg catalyst in 2 mL water/DMF; 5 uL Nafion ethanol solution overlayer. | main p.8, article p.2000012-8 · Experimental Section |
| Ni3.HAHATN ligand batchresearch_0513__mat__ni3_hahatn_ligand | Powder · Paper Level Unspecified · Unknown | Prepared by refluxing HAHATN with nickel chloride at pH 4. | main p.8, article p.2000012-8 · Experimental Section |
| Ni3(HITP)2 conductive MOF powderresearch_0513__mat__ni3_hitp2 | Powder · Pristine Control · Pristine Framework | Synthesised from nickel chloride and HITP under ammoniacal aqueous conditions; dried under vacuum at 150 C. | main p.8, article p.2000012-8 · Experimental Section |
| Ni3(HITP)2 modified rotating disk electroderesearch_0513__mat__ni3_hitp2 | Electrode · Pristine Control · Composite | Drop-cast catalyst ink dried in vacuum and fixed with Nafion ethanol solution.3 mm glassy carbon rotating disk electrode · 10 uL ink from 8 mg catalyst in 2 mL water/DMF; 5 uL Nafion ethanol solution overlayer. | main p.8, article p.2000012-8 · Experimental Section |
| DFT Ni3(Ni3.HAHATN)2 slabresearch_0513__mat__ni3_ni3_hahatn2 | Model · Model System · Model | Geometry-optimised DFT model.not_applicable · Single-layer slab with 30 A vacuum layer. | main p.8, article p.2000012-8 · Experimental Section |
| Ni3(Ni3.HAHATN)2 nanosheetsresearch_0513__mat__ni3_ni3_hahatn2 | Nanosheet · Target Sample · Pristine Framework | Black MOF product washed with ethanol and deionized water; used for PXRD, SEM/TEM/EDX, XPS, porosity, DFT comparison and HER catalyst preparation.TEM/HRTEM black-line width less than 1.6 nm; AFM thickness 1.6 nm. | main p.3, article p.2000012-3 · Results and Discussion · Figure 2; Figures S7-S8 |
| Compressed Ni3(Ni3.HAHATN)2 nanosheet pelletresearch_0513__mat__ni3_ni3_hahatn2 | Pellet · Target Sample · Pristine Framework | Compressed pellet measured by four-point probe. | main p.3, article p.2000012-3 · Results and Discussion |
| Ni3(Ni3.HAHATN)2 modified rotating disk electroderesearch_0513__mat__ni3_ni3_hahatn2 | Electrode · Composite Sample · Composite | Drop-cast catalyst ink dried in vacuum and fixed with Nafion ethanol solution.3 mm glassy carbon rotating disk electrode · 10 uL ink from 8 mg catalyst in 2 mL water/DMF; 5 uL Nafion ethanol solution overlayer. | main p.8, article p.2000012-8 · Experimental Section |