Zhao L., Yan J., Huang H. et al. · Advanced Functional Materials · 2024 · 2310902
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.
Ni0.5Fe0.5-THQ is electrochemically durable under OER testing, maintaining current over 40 h and retaining surface valence/morphology after testing.
Caveat: Durability current trace value is qualitative in the paper text; only duration and applied voltage are numeric.
p005 · 2.2 Electrochemical Performances · Figure 3f; Figure S15-S16 · Linked to 2 structured results
Ni0.5Fe0.5-THQ is the best OER catalyst in the series, with the lowest overpotential, lowest Tafel slope, largest Cdl/ECSA, highest mass activity and highest TOF.
Caveat: OER polarisation curves were given without iR compensation correction.
p005 · 2.2 Electrochemical Performances · Figure 3 · Linked to 6 structured results
The NixFe1-x-THQ powders are successfully prepared and isostructural, with shared XRD peaks assigned to (100), (200), and (300) planes.
Caveat: Peak intensities decrease as Ni content increases, indicating lower crystallinity for Ni-rich samples.
p002 · 2.1 Material Synthesis and Structural Characterizations · Figure 1d · Linked to 3 structured results
Fe-THQ has the highest reported conductivity among the NixFe1-x-THQ series and the authors relate this to its high crystallinity.
Caveat: Conductivity device geometry is not specified in the extracted text.
p003 · 2.1 Material Synthesis and Structural Characterizations · Table S5 · Linked to 3 structured results
Ni/Fe coupling induces electron redistribution from Ni toward Fe through d-pi conjugation, shifting Fe d-band centres toward the Fermi level and enhancing intermediate adsorption.
Caveat: Mechanism combines XPS shifts with DFT charge density and DOS rather than direct transport measurement.
p008 · 2.3 DFT Calculations · Figure 4e-f · Linked to 3 structured results
DFT indicates Fe sites in Ni0.5Fe0.5-THQ are the likely active OER centres because OH- adsorption is stronger on Fe than on adjacent Ni sites.
Caveat: Computational active-site inference; not a direct operando measurement.
p007 · 2.3 DFT Calculations · Figure 4b · Linked to 3 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| Fe-THQ | Fe-THQFe-O6 · THQ | 3D · PristineRefined cubic unit cell, space group Pm-3; used as structural analysis example. | p002 · 2.1 Material Synthesis and Structural Characterizations · Figure S2/Table S2 |
| Ni0.2Fe0.8-THQ | Ni0.2Fe0.8-THQNi/Fe O6 sites · THQ | 3D · PristineBimetallic member of the isostructural NixFe1-x-THQ series. | p002 · 2.1 Material Synthesis and Structural Characterizations · Figure 1a |
| Ni0.5Fe0.5-HHTPBrowse family: Ni/Fe–HHTP family | Ni0.5Fe0.5-HHTPNi/Fe sites · HHTP | unknown · PristineComparator conductive MOF catalyst used for Cdl, ECSA and TOF comparison. | p005 · 2.2 Electrochemical Performances · Figure 3e; Figure S14 |
| Ni0.5Fe0.5-THQ | Ni0.5Fe0.5-THQNi/Fe O6 sites · THQ | 3D · PristineBimetallic THQ c-MOF target catalyst; DFT model uses Fe and Ni sites. | p002 · 2.1 Material Synthesis and Structural Characterizations · Figure 1a |
| Ni0.8Fe0.2-THQ | Ni0.8Fe0.2-THQNi/Fe O6 sites · THQ | 3D · PristineBimetallic member of the isostructural NixFe1-x-THQ series. | p002 · 2.1 Material Synthesis and Structural Characterizations · Figure 1a |
| Ni-THQ | Ni-THQNi-O6 · THQ | 3D · PristineIsostructural THQ c-MOF end member; Ni2+ oxidation state from XPS. | p002 · 2.1 Material Synthesis and Structural Characterizations · Figure 1a |
| NixFe1-x-THQ conductive MOF series | NixFe1-x-THQNi and/or Fe octahedral O6 sites · tetrahydroxy-1,4-benzoquinone hydrate (THQ) | 3D · PristineIsostructural c-MOF series with XRD peaks assigned to (100), (200), and (300); Fe-THQ refined as cubic Pm-3. | p002 · 2.1 Material Synthesis and Structural Characterizations · Figure 1a |
| commercial RuO2 | RuO2Ru · none | 0D · UnknownCommercial oxide reference catalyst, not a MOF. | p005 · 2.2 Electrochemical Performances · Figure 3 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| Fe-THQresearch_0449__mat__mat_fe_thq | Powder · Pristine Control · Pristine Framework | as-synthesised catalyst powder | p003 · S1.2 Synthesis |
| Ni0.2Fe0.8-THQresearch_0449__mat__mat_ni02fe08_thq | Powder · Target Sample · Mixed Metal | as-synthesised catalyst powder | p003 · S1.2 Synthesis |
| Ni0.5Fe0.5-HHTPresearch_0449__mat__mat_ni05fe05_hhtp | Powder · Pristine Control · Mixed Metal | comparator catalyst | p005 · 2.2 Electrochemical Performances · Figure 3e |
| Ni0.5Fe0.5-THQresearch_0449__mat__mat_ni05fe05_thq | Powder · Target Sample · Mixed Metal | as-synthesised catalyst powder; also drop-cast as ink for OER tests | p003 · S1.2 Synthesis |
| Ni0.8Fe0.2-THQresearch_0449__mat__mat_ni08fe02_thq | Powder · Target Sample · Mixed Metal | as-synthesised catalyst powder | p003 · S1.2 Synthesis |
| Ni-THQresearch_0449__mat__mat_ni_thq | Powder · Pristine Control · Pristine Framework | as-synthesised catalyst powder | p003 · S1.2 Synthesis |
| NixFe1-x-THQ seriesresearch_0449__mat__mat_nixfe_thq_series | Powder · Paper Level Unspecified · Mixed Metal | as-synthesised powder series | p002 · 2.1 Material Synthesis and Structural Characterizations · Figure 1a |
| commercial RuO2research_0449__mat__mat_ruo2_reference | Powder · Pristine Control · Unknown | commercial reference catalyst inkglassy carbon electrode for OER testing | p005 · 2.2 Electrochemical Performances · Figure 3 |