Yi J.-D., Xie R., Xie Z.-L. et al. · Angewandte Chemie - International Edition · 2020 · 23641-23648
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.
Cu2O@CuHHTP reaches 73% CH4 Faradaic efficiency and 10.8 mA cm-2 CH4 partial current density at -1.4 V vs RHE, outperforming most reported catalysts in the authors' comparison.
Caveat: Performance values are for the paper's H-cell conditions without IR compensation; cross-paper comparison depends on electrolyte and testing protocols.
p006 / 23646 · Conclusion · Table S1 · Linked to 2 structured results
The DFT model is Cu2O/HHTP rather than full Cu2O/CuHHTP because the authors considered hydrogen bonding from uncoordinated HHTP and avoided non-commensurable large supercells.
Caveat: Computational results model the HHTP hydroxyl environment, not the full experimental CuHHTP support.
p020 / SI p19 · Computational methods · Figure S22 · Linked to 2 structured results
Pristine CuHHTP alone shows poor CH4 selectivity and produces mainly H2, indicating that CO2RR CH4 activity originates from Cu2O quantum dots rather than the unmodified framework.
Caveat: Pristine control values are mostly figure-axis estimates from Figure S10.
p005 / 23645 · Results and Discussion · Figure S10 · Linked to 2 structured results
Electrochemical treatment transforms part of the labile Cu-O4 nodes in CuHHTP into Cu2O(111) quantum dots while retaining the CuHHTP framework, yielding single-type Cu2O active sites.
Caveat: Single-type site assignment is based on PXRD, TEM/HRTEM, XPS/XAS and absence of other detected phases; very small undetected quantities cannot be excluded.
p003-p004 / 23643-23644 · Results and Discussion · Figure 1; Figure 2 · Linked to 4 structured results
Exposed HHTP hydroxyl groups form hydrogen bonds with CO2RR intermediates, stabilising CH4-pathway intermediates and increasing CH4 selectivity.
Caveat: Mechanistic assignment combines operando ATR-FTIR, physical-mixture control and DFT; HHTP physical mixture improves but does not match target catalyst.
p005-p006 / 23645-23646 · Results and Discussion · Figure 4; Figure S14 · Linked to 7 structured results
Increasing electroreduction time enlarges particles and introduces Cu2O(110)/CuO(111) sites, decreasing CH4 selectivity.
Caveat: Selectivity values for time variants are visual estimates from Figure S21.
p016-p017 / SI pp15-16 · Supporting Figures and Tables · Figure S18-S21 · Linked to 7 structured results
The retained conductive CuHHTP substrate enables electron transfer to Cu2O active sites and contributes to the high CH4 partial current density.
Caveat: Conductivity-current relationship is inferred from comparative electrochemistry rather than directly measured in operando.
p005 / 23645 · Results and Discussion · Figure S13 · Linked to 5 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| Commercial Cu2O | Cu2OCu2O particles | 0D · PristineCommercial Cu2O with (110), (111), and (200) crystalline planes; particle size range 200 nm to 8 um in SI. | p011 / SI p10 · Supporting Figures and Tables · Figure S11; Figure S12 |
| Cu2O(111) slab model | Cu2O(111)Cu2O(111) surface | 2D · Model SystemDFT slab model for pristine Cu2O(111). | p020 / SI p19 · Computational methods · Figure S22; Table S2 |
| Cu2O@conductive carbon black | Cu2O@CCBCu2O nanoparticles | 0D · CompositeCu2O quantum dots supported on conductive carbon black; multiple Cu2O planes observed by PXRD/TEM. | p005 / 23645 · Results and Discussion · Figure 3d; Figure S11-S12 |
| Cu2O@CuHHTPBrowse family: Cu₃(HHTP)₂ / Cu–HHTP | Cu2O quantum dots on CuHHTPResidual CuHHTP Cu-O4 nodes plus in situ reduced Cu2O(111) sites · HHTP; uncoordinated hydroxyl groups exposed after partial reduction | 2D · CompositeComposite retaining CuHHTP framework with Cu2O(111) quantum dots; no Cu, CuO or Cu(OH)2 detected in main 30 min sample. | p003 / 23643 · Results and Discussion · Figure 1 |
| Physical mixture of commercial Cu2O and HHTP | Cu2O/HHTP mixtureCommercial Cu2O particles · HHTP additive | unknown · CompositePhysical mixture used to probe hydroxyl-rich HHTP environment; not a framework composite. | p005 / 23645 · Results and Discussion · Figure S14 |
| Cu2O@HHTP(111) slab model | Cu2O/HHTP modelCu2O(111) surface with HHTP hydroxyl groups nearby · HHTP model ligand | 2D · Model SystemDFT model chosen instead of Cu2O/CuHHTP because Cu2O and CuHHTP repeat units are not commensurable. | p020 / SI p19 · Computational methods · Figure S22; Table S2 |
| CuHHTPBrowse family: Cu₃(HHTP)₂ / Cu–HHTP | CuHHTP; copper 2,3,6,7,10,11-hexahydroxytriphenylene frameworkCu-O4 nodes; Cu2+ centres coordinated to HHTP/tricatecholate ligand · 2,3,6,7,10,11-hexahydroxytriphenylene (HHTP) | 2D · PristineCrystalline conductive Cu-based MOF with hexagonal array of 1D pores; PXRD similar to literature. | p003 / 23643 · Results and Discussion · Scheme 1; Figure 1 |
| Synthesized Cu2O quantum dots without conductive carbon black | Cu2OCu2O quantum dots | 0D · PristineCu2O quantum dots used to compare LSV current density without conductive support. | p012 / SI p11 · Supporting Figures and Tables · Figure S13 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| Cata-1.2V-1hresearch_0635__mat__mat_cu2o_cuhhtp | Electrode · Target Sample · Composite | CuHHTP electroreduction at -1.2 V vs RHE for 1 hglassy carbon electrode | p015 / SI p14 · Supporting Figures and Tables · Figure S18 |
| Cata-1.2V-3hresearch_0635__mat__mat_cu2o_cuhhtp | Electrode · Target Sample · Composite | CuHHTP electroreduction at -1.2 V vs RHE for 3 hglassy carbon electrode | p015 / SI p14 · Supporting Figures and Tables · Figure S19 |
| Cata-1.2V-5hresearch_0635__mat__mat_cu2o_cuhhtp | Electrode · Target Sample · Composite | CuHHTP electroreduction at -1.2 V vs RHE for 5 hglassy carbon electrode | p015-p016 / SI pp14-15 · Supporting Figures and Tables · Figure S20 |
| Commercial Cu2O electroderesearch_0635__mat__mat_commercial_cu2o | Electrode · Pristine Control · Composite | 5 mg commercial Cu2O + 2.5 mg conductive carbon black + 40 uL 5 wt% Nafion in 1 mL isopropanol; sonicated and drop-castglassy carbon electrode · 10 uL ink on 10 mm diameter GC disk | p005 / SI p4 · Preparation of commercial Cu2O electrode |
| Cu2O@CCB electroderesearch_0635__mat__mat_cu2o_ccb | Electrode · Composite Sample · Composite | Cu2O@CCB particles made in water at 35 deg C with CuSO4, NaOH and ascorbic acid; electrode prepared from catalyst/Nafion/isopropanol inkglassy carbon electrode · 10 uL ink on 10 mm diameter GC disk (CO2RR method) | p003-p004 / SI pp2-3 · Preparation of Cu2O@conductive carbon black |
| Cu2O@CuHHTP, -1.2 V 30 minresearch_0635__mat__mat_cu2o_cuhhtp | Electrode · Target Sample · Composite | CuHHTP electrode electrochemically reduced at -1.2 V vs RHE for 30 min in 0.1 M KCl/0.1 M KHCO3glassy carbon electrode (10 mm GC disk) · 10 uL ink on 10 mm diameter GC disk | p003 / SI p2 · Preparation of Cu2O@CuHHTP |
| Commercial Cu2O/HHTP physical mixture electroderesearch_0635__mat__mat_cu2o_hhtp_mixture | Electrode · Composite Sample · Composite | Physical mixture used for CO2RR; detailed mass/loading not reported in available text.glassy carbon electrode | p005 / 23645 · Results and Discussion · Figure S14 |
| CuHHTP GCE electroderesearch_0635__mat__mat_cuhhtp | Electrode · Pristine Control · Pristine Framework | 5 mg CuHHTP + 40 uL 5 wt% Nafion in 1 mL isopropanol; ultrasonicated; drop-cast and driedglassy carbon electrode (10 mm GC disk) · 10 uL ink on 10 mm diameter GC disk | p003-p004 / SI pp2-3 · Preparation of Cu2O@CuHHTP; CO2RR measurements |
| Pristine CuHHTP black powderresearch_0635__mat__mat_cuhhtp | Powder · Pristine Control · Pristine Framework | solvothermal product; washed with methanol and vacuum dried | p002-p003 / SI pp1-2 · Synthesis of CuHHTP |
| Cu2O(111) DFT slabresearch_0635__mat__mat_cu2o111_model | Model · Model System · Model | DFT model; bottom layer fixedslab with >15 angstrom vacuum region | p019-p020 / SI pp18-19 · Computational methods · Figure S22 |
| Cu2O@HHTP(111) DFT slabresearch_0635__mat__mat_cu2o_hhtp_model | Model · Model System · Model | DFT model of Cu2O(111) with HHTP hydroxyl groups; bottom layer fixedslab with >15 angstrom vacuum region | p020 / SI p19 · Computational methods · Figure S22 |
| Synthesized Cu2O quantum dots without conductive carbon black electroderesearch_0635__mat__mat_synth_cu2o_qd | Electrode · Pristine Control · Pristine Framework | Synthesized Cu2O quantum dots without conductive carbon black; exact synthesis not described in available SI beyond Figure S13 comparator.glassy carbon electrode | p012 / SI p11 · Supporting Figures and Tables · Figure S13 |