Li Q., Jia C., Wang Q. et al. · Journal of the American Chemical Society · 2025 · 39430-39439
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.
A Zn-NO3 battery using Cu98.5Ni1.5-DBCO as cathode delivers 1.60 V open-circuit voltage, 35.6 mW cm-2 power density, and 1312 Wh kg-1 gravimetric energy density.
Caveat: Device is an application demonstration rather than a standalone conductive-MOF transport measurement.
7 · Rational Design · Figure 5e; Table S12 · Linked to 3 structured results
Cu98.5Ni1.5-DBCO is the optimised catalyst, reaching 100% ammonia selectivity, about 99% FE, 200.7 mg h-1 mgcat-1 yield, and 752 mA cm-2 current density.
Caveat: Main text reports FE as 98.5%, while SI Table S13 reports 98.9%.
7 · Rational Design · Figure 5b · Linked to 4 structured results
Cu/Ni-DBCO is a water-stable conductive MOF platform suitable for aqueous electrocatalysis at high current density.
Caveat: Conductivity measurement geometry is not specified; water stability is primarily structural by PXRD.
4 · Results and Discussion · Table S3; Figure S16 · Linked to 2 structured results
Porosity is relevant to the MOF-platform rationale, but the local documents do not expose numeric N2 adsorption or pore metrics despite the associated-content listing.
Caveat: Main text mentions high porosity generally and the associated-content section lists N2 adsorption-desorption isotherm data, but no numeric BET surface area, pore volume, or pore-size value is visible in the extracted text or supplied rendered pages.
7 · Associated Content · Linked to 1 structured result
Cu and Ni are atomically dispersed in a homogeneous diatomic MOF format without evident Cu-Cu, Ni-Ni, or Cu-Ni aggregation peaks.
Caveat: Authors note that obtaining high-quality single crystals remains challenging.
4 · Structural characterization · Figures S11-S15; Table S2 · Linked to 4 structured results
Excessive Ni content favours HER and decreases ammonia Faradaic efficiency, making Cu/Ni ratio optimisation essential.
Caveat: HER trend is supported by figure selectivity data and DFT H adsorption/ICOHP, with some values figure-derived.
7 · Rational Design · Figure 5a · Linked to 3 structured results
Cu sites preferentially reduce nitrate to nitrite, while Ni sites accelerate nitrite-to-ammonia conversion, creating a relay mechanism that improves NH3 selectivity.
Caveat: Mechanism is inferred from combined kinetic, spectroscopic, and DFT evidence rather than direct single-site turnover measurements.
6 · Insights into mechanism · Figures 3 and 4 · Linked to 4 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| Cu95M5-DBCO diatomic MOFs | Cu95M5-DBCO, M = Co, Fe, Ni, Rh, Pd, RuCuO4 plus M-O nodes · H8DBCO / DBCO octaol ligand | 2D · PristineDiatomic MOF screening series retaining the Cu-DBCO crystal structure by XRD. | 2 · Results and Discussion · Figure 1a |
| Cu-DBCO | Cu-DBCO; Cu nodes coordinated by dibenzo-[g,p]chrysene-2,3,6,7,10,11,14,15-octaolCuO4 nodes · H8DBCO / DBCO octaol ligand | 2D · PristineLayered honeycomb conductive catecholate MOF; each metal atom coordinated to two catechol groups and ligands bridge four metal ions. | 2 · Results and Discussion · Figure 1 and text |
| CuxNiy-DBCO conductive MOFs | CuxNiy-DBCOMixed CuO4 and NiO4 nodes with tunable Cu/Ni molar ratio · dibenzo-[g,p]chrysene-2,3,6,7,10,11,14,15-octaol (H8DBCO) | 2D · PristineHomogeneous diatomic conductive MOF family; PXRD/SEM/TEM/STEM/EXAFS support crystallinity, nanorod morphology, and atomically dispersed Cu and Ni nodes. | 1 · Abstract |
| DFT model CuxNiy-DBCO slabs | Cu-DBCO, Cu75Ni25-DBCO, Cu50Ni50-DBCO, Cu25Ni75-DBCO, Ni-DBCO modelsIdealised Cu and/or Ni sites · DBCO-like model framework | 2D · Model SystemPeriodic VASP models of conductive MOF layers with varied Cu/Ni ratios. | 9 · Calculation method · Figure S37 |
| Ni-DBCO | Ni-DBCONiO4 nodes · H8DBCO / DBCO octaol ligand | 2D · PristineNi-rich/pure Ni crystalline phase used as control and high-Ni endmember. | 3 · Synthesis of CuxNiy-DBCO catalysts (y>70) |
| Zn-NO3 battery using Cu98.5Ni1.5-DBCO cathode | Zn | KOH anolyte || KOH/KNO3 catholyte | Cu98.5Ni1.5-DBCOCu/Ni MOF cathode catalyst plus Zn anode · DBCO ligand in cathode catalyst | unknown · CompositeApplication device assembled from carbon-cloth-supported Cu98.5Ni1.5-DBCO and Zn plate. | 7 · Assembly of the Zn-NO3 battery |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| Cu10Ni90-DBCOresearch_0819__mat__mat_cuxniy_dbco | Powder · Pristine Control · Mixed Metal | high-Ni crystalline phase | 3 · Synthesis of CuxNiy-DBCO catalysts (y>70) |
| Cu30Ni70-DBCOresearch_0819__mat__mat_cuxniy_dbco | Powder · Pristine Control · Mixed Metal | Ni-dominant control catalyst | 2 · Results and Discussion |
| Cu50Ni50-DBCOresearch_0819__mat__mat_cuxniy_dbco | Powder · Pristine Control · Mixed Metal | as-synthesised catalyst and DFT model composition | 9 · Calculation method · Figure S37 |
| Cu70Ni30-DBCOresearch_0819__mat__mat_cuxniy_dbco | Powder · Pristine Control · Mixed Metal | as-synthesised catalyst | 13 · Figure captions · Figure S3 |
| Cu90Ni10-DBCOresearch_0819__mat__mat_cuxniy_dbco | Powder · Pristine Control · Mixed Metal | as-synthesised catalyst | 13 · Figure captions · Figure S3 |
| Cu95Co5-DBCOresearch_0819__mat__mat_cu95m5_dbco | Powder · Pristine Control · Mixed Metal | screening catalyst | 11 · Figure captions · Figure S1 |
| Cu95Fe5-DBCOresearch_0819__mat__mat_cu95m5_dbco | Powder · Pristine Control · Mixed Metal | screening catalyst | 11 · Figure captions · Figure S1 |
| Cu95Ni5-DBCOresearch_0819__mat__mat_cuxniy_dbco | Powder · Pristine Control · Mixed Metal | as-synthesised catalyst | 1 · Introduction |
| Cu95Pd5-DBCOresearch_0819__mat__mat_cu95m5_dbco | Powder · Pristine Control · Mixed Metal | screening catalyst | 11 · Figure captions · Figure S1 |
| Cu95Rh5-DBCOresearch_0819__mat__mat_cu95m5_dbco | Powder · Pristine Control · Mixed Metal | screening catalyst | 11 · Figure captions · Figure S1 |
| Cu95Ru5-DBCOresearch_0819__mat__mat_cu95m5_dbco | Powder · Pristine Control · Mixed Metal | screening catalyst | 11 · Figure captions · Figure S1 |
| Cu98.3Ni1.7-DBCOresearch_0819__mat__mat_cuxniy_dbco | Powder · Pristine Control · Mixed Metal | as-synthesised catalyst | 6 · Rational Design · Figure 5a |
| Cu98.5Ni1.5-DBCO cathode in Zn-NO3 batteryresearch_0819__mat__mat_zn_no3_battery | Electrode · Composite Sample · Composite | assembled H-type Zn-NO3 battery cathodecarbon cloth cathode | 7 · Rational Design · Figure 5c |
| Cu98.5Ni1.5-DBCOresearch_0819__mat__mat_cuxniy_dbco | Powder · Target Sample · Mixed Metal | optimised as-obtained catalyst | 7 · Conclusions |
| Cu98.8Ni1.2-DBCOresearch_0819__mat__mat_cuxniy_dbco | Powder · Pristine Control · Mixed Metal | as-synthesised catalyst | 6 · Rational Design · Figure 5a |
| Cu98Ni2-DBCOresearch_0819__mat__mat_cuxniy_dbco | Powder · Pristine Control · Mixed Metal | as-synthesised catalyst | 6 · Rational Design · Figure 5a |
| Cu99.9Ni0.1-DBCOresearch_0819__mat__mat_cuxniy_dbco | Powder · Pristine Control · Mixed Metal | as-synthesised catalyst | 15 · Figure captions · Figure S5 |
| Cu99Ni1-DBCOresearch_0819__mat__mat_cuxniy_dbco | Powder · Target Sample · Mixed Metal | as-synthesised nanorod catalyst | 2 · Results and Discussion · Figure 1 |
| Cu99Ni1-DBCO on carbon cloth/carbon paper electroderesearch_0819__mat__mat_cuxniy_dbco | Electrode · Target Sample · Composite | catalyst-coated electrodecarbon cloth for NO3RR; carbon paper or graphene paper for spectroelectrochemistry | 5 · Electrochemical measurements |
| Cu-DBCOresearch_0819__mat__mat_cu_dbco | Powder · Pristine Control · Pristine Framework | as-synthesised black powder | 2 · Synthesis of Cu-DBCO catalysts |
| DFT CuxNiy-DBCO model systemsresearch_0819__mat__mat_cuxniy_dbco_models | Model · Model System · Model | periodic slab models | 6 · Mechanistic insight · Figure 4 |
| Ni-DBCOresearch_0819__mat__mat_ni_dbco | Powder · Pristine Control · Pristine Framework | as-synthesised high-Ni route product | 3 · Synthesis of CuxNiy-DBCO catalysts (y>70) |