Primary studyCore evidenceTheory Transport

Creating Dual Active Sites in Conductive Metal-Organic Frameworks for Efficient Water Splitting

He Y., Yan F., Zhang X. et al. · Advanced Energy Materials · 2023 · 2204177

6materials
13samples
8synthesis routes
22measurements
112results
4claims and caveats

Evidence map

Open a family to keep every result attached to its sample, method and conditions.

Author interpretations and caveats

Paraphrased for this database from the authors’ stated interpretations — never quoted verbatim — and kept separate from reported measurements.

Application RelevanceSupport assessment: High

RuCo-CAT/CC is the best bifunctional catalyst in this study, outperforming Pt/C for HER eta10 and RuO2 for OER eta50.

Caveat: Electrochemical procedural details were available in the SI.

article pp.5,10 · Results and Discussion; Conclusion · Figures 3-4 · Linked to 4 structured results

OtherSupport assessment: High

The SI provides complete solvothermal recipes, electrochemical methods, DFT settings, EXAFS fitting tables and ICP composition tables used to complete the extraction.

Caveat: Only 28 rendered SI pages were attached, so late-page visual figure values were not read from images; text-layer tables/captions were used.

S2-S32 · Supporting Information · Figures S1-S46; Tables S1-S5 · Linked to 3 structured results

Structure Property LinkSupport assessment: High

Precious-metal doping creates dual active sites in Co-CAT: Ru centres favour HER through water dissociation and H* adsorption, while Co centres favour OER by lowering the rate-determining OER barrier.

Caveat: Computational method details were available in the SI; direct experimental conductivity was not reported.

article p.9 · Results and Discussion · Figure 5 · Linked to 3 structured results

Transport MechanismSupport assessment: Medium

Ru doping enhances the electronic conductivity of Co-CAT according to calculated zero-band-gap metallic behaviour and more intense DOS near the Fermi level.

Caveat: No direct experimental electrical conductivity value is reported in the main text; this is inferred from DFT/DOS.

article p.8 · Results and Discussion · Figures S41-S42 referenced · Linked to 1 structured result

Material identities

Names and aliases are kept exactly within the paper’s own identity model.

MaterialCompositionStructure contextSource
Co-catecholate (Co-CAT)Browse family: Co₃(HHTP)₂ / Co–HHTPCo-CAT; cobalt coordinated to HHTP-derived catecholate linkerCo centres coordinated with O atoms · 2,3,6,7,10,11-hexahydroxytriphenylene (HHTP)2D · PristineM-CAT framework with peaks assigned to (100), (200), (210), and c-direction stacking; trigonal space group P-3c1; two alternatively stacked A and B layers.article p.2 · Results and Discussion · Figure 1b
Ir-doped Co-CAT (IrCo-CAT)Browse family: Co₃(HHTP)₂ / Co–HHTPIrCo-CAT; Ir and Co in HHTP-derived catecholate frameworkCo centres with doped Ir atoms · HHTP-derived catecholate linker2D · PristineSame crystalline structure as RuCo-CAT and Co-CAT by XRD.article p.5 · Results and Discussion · Figure S12 referenced
Commercial 20 wt% Pt/C benchmarkPt/CPt nanoparticles on carbon · not_applicableunknown · CompositeCommercial HER benchmark catalyst loaded on carbon cloth.article p.5 · Results and Discussion · Figure 3
Rh-doped Co-CAT (RhCo-CAT)Browse family: Co₃(HHTP)₂ / Co–HHTPRhCo-CAT; Rh and Co in HHTP-derived catecholate frameworkCo centres with doped Rh atoms · HHTP-derived catecholate linker2D · PristineSame crystalline structure as RuCo-CAT and Co-CAT by XRD.article p.5 · Results and Discussion · Figure S12 referenced
Ru-doped Co-CAT (RuCo-CAT)Browse family: Co₃(HHTP)₂ / Co–HHTPRuCo-CAT; Ru and Co coordinated to HHTP-derived catecholate linkerCo centres with doped Ru atoms; Ru-O and Co-O coordination · HHTP-derived catecholate linker2D · PristineRu-doped M-CAT retains Co-CAT crystalline structure and P-3c1 stacked-layer assignment.article pp.2-3 · Results and Discussion · Figure 1
Commercial RuO2 benchmarkRuO2Ru oxide · not_applicableunknown · CompositeCommercial OER benchmark catalyst loaded on carbon cloth.article p.6 · Results and Discussion · Figure 4

Sample register

Sample form, processing state and composition status define the context for measurements.

Show 13 sample records
SampleForm and roleProcessing and geometrySource
Co-CAT/CC nanorod arrays, 12 h solvothermalresearch_0596__mat__co_catElectrode · Pristine Control · Pristine FrameworkUndoped Co-CAT nanorod arrays grown on CC; selected as best undoped catalyst.carbon cloth (CC)article p.2 · Results and Discussion · Figure S1 referenced
Co-CAT/CC nanorod arrays, 20 h solvothermalresearch_0596__mat__co_catElectrode · Pristine Control · Pristine FrameworkUndoped Co-CAT nanorod arrays grown on CC for 20 h during optimisation.carbon cloth (CC)article p.2 · Results and Discussion · Figure S1 referenced
Co-CAT/CC nanorod arrays, 4 h solvothermalresearch_0596__mat__co_catElectrode · Pristine Control · Pristine FrameworkUndoped Co-CAT nanorod arrays grown on CC for 4 h during optimisation.carbon cloth (CC)article p.2 · Results and Discussion · Figure S1 referenced
Co-CAT(001) DFT model, Co active siteresearch_0596__mat__co_catModel · Model System · ModelDFT-optimised Co-CAT model for adsorption, DOS, and OER calculations.not_applicable · three stacked layers for DFT models inferred from RuCo-CAT model descriptionarticle p.8 · Results and Discussion · Figure 5a
IrCo-CAT/CC nanorod arraysresearch_0596__mat__irco_catElectrode · Target Sample · DopedIr-doped Co-CAT nanorod arrays grown by the present strategy on CC.carbon cloth (CC)article p.5 · Results and Discussion · Figures S12-S17 referenced
Pt/C/CC benchmark electroderesearch_0596__mat__pt_c_benchmarkElectrode · Unknown · CompositeCommercial 20 wt% Pt/C loaded on CC with same mass loading as MOF catalysts.carbon cloth (CC)article p.5 · Results and Discussion · Figure 3
Pt/C||RuO2 benchmark two-electrode electrolyserresearch_0596__mat__pt_c_benchmarkElectrode · Unknown · CompositePt/C cathode paired with RuO2 anode for overall water splitting benchmark.carbon cloth (CC)article p.10 · Results and Discussion · Figure 6b
RhCo-CAT/CC nanorod arraysresearch_0596__mat__rhco_catElectrode · Target Sample · DopedRh-doped Co-CAT nanorod arrays grown by the present strategy on CC.carbon cloth (CC)article p.5 · Results and Discussion · Figures S12-S17 referenced
RuCo-CAT/CC nanorod arraysresearch_0596__mat__ruco_catElectrode · Target Sample · DopedRu-doped Co-CAT nanorod arrays grown by one-pot solvothermal synthesis on CC.carbon cloth (CC)article p.2 · Results and Discussion · Figure 1c-e
RuCo-CAT(001) DFT model, Co active siteresearch_0596__mat__ruco_catModel · Model System · ModelDFT-optimised RuCo-CAT model evaluating Co active site.not_applicable · three stacked layersarticle p.9 · Results and Discussion · Figure 5e
RuCo-CAT(001) DFT model, Ru active siteresearch_0596__mat__ruco_catModel · Model System · ModelDFT-optimised RuCo-CAT model evaluating doped Ru active site.not_applicable · three stacked layersarticle p.8 · Results and Discussion · Figure 5a-d
RuCo-CAT||RuCo-CAT two-electrode electrolyserresearch_0596__mat__ruco_catElectrode · Target Sample · DopedRuCo-CAT/CC used as both cathode and anode in a two-electrode cell.carbon cloth (CC)article p.10 · Results and Discussion · Figure 6a
RuO2/CC benchmark electroderesearch_0596__mat__ruo2_benchmarkElectrode · Unknown · CompositeCommercial RuO2 loaded on CC with same mass loading as MOF catalysts.carbon cloth (CC)article p.6 · Results and Discussion · Figure 4