Primary studyCore evidenceTransport Physics

Single-Atom Catalysts in Conductive Metal-Organic Frameworks: Enabling Reversible Gas Sensing at Room Temperature

Park C., Shin H., Jeon M. et al. · ACS Nano · 2024

5materials
12samples
6synthesis routes
15measurements
43results
5claims 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

Pd1-cMOF enables a reversible room-temperature NO2 chemiresistive response with faster response/recovery than the compared 2D-cMOF-based NO2 sensors in Table S3.

Caveat: Leaderboard comparison is against selected literature rows in Table S3; those literature rows are not first-hand results from this paper.

rendered page 6 / article p.26071 · Chemiresistive Gas Sensing Properties of Pd1-cMOF · Figure 4; Table S3 · Linked to 6 structured results

Composite RoleSupport assessment: Medium

The reversible NO2 response is attributed to single-atom catalytic sites rather than Pd nanoparticles, because Pd-NP@cMOF did not show the reversible response while Ag1-cMOF behaved more like Pd1-cMOF.

Caveat: Ag1-cMOF response value is visually estimated; Pd-NP@cMOF comparison is qualitative in the text and SI figure.

rendered page 5 / article p.26070 · Chemiresistive Gas Sensing Properties of Pd1-cMOF · Figures S14 and S15 · Linked to 2 structured results

Phase AssignmentSupport assessment: High

Pd atoms in Pd1-cMOF are predominantly isolated single atoms stabilised at interplanar 1D pore-wall sites with approximately Pd-N4 coordination.

Caveat: EXAFS Pd-Pd CN is non-zero but described as a minor contribution; assignment combines microscopy, EXAFS and DFT.

rendered page 7 / SI p.7 · Analysis on EXAFS fitting parameters and DFT optimized structures · Figure S4; Table S2 · Linked to 5 structured results

Structure Property LinkSupport assessment: High

Pd single-atom functionalisation preserves Cu3(HITP)2 surface area and sub-2 nm pore volume, avoiding the pore-blockage trade-off associated with nanoparticle functionalisation.

Caveat: Porosity comparison is reported for pristine cMOF and Pd1-cMOF; direct Pd-NP porosity values are not reported in the extracted text.

rendered page 4 / article p.26069 · Characterization of SACs Stabilized in cMOF · Figure 3b,c · Linked to 4 structured results

Transport MechanismSupport assessment: High

Pd single atoms suppress NO2-induced Cu3(HITP)2 structural deformation, reducing irreversible baseline drift and improving recovery.

Caveat: Mechanistic claim combines DFT, ex-situ XRD and sensor behaviour; direct in-operando structural proof is not reported.

rendered page 6 / article p.26071 · Elucidation of Gas Sensing Mechanisms · Figure 5; Figure S20 · Linked to 6 structured results

Material identities

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

MaterialCompositionStructure contextSource
Ag1-cMOFBrowse family: Cu₃(HITP)₂ / Cu–HITPAg single atoms stabilised on Cu3(HITP)2Cu nodes plus Ag single atoms · HITP2D · CompositeSAC-functionalised Cu3(HITP)2; atomic dispersion verified by HAADF-STEM/EDS, XPS Ag(I), and preserved XRD/FT-IR peaks.rendered page 4 / article p.26069 · Characterization of SACs Stabilized in cMOF · Figures S7-S9 and S15
cMOF / Cu3(HITP)2Browse family: Cu₃(HITP)₂ / Cu–HITPCu3(HITP)2; HITP = 2,3,6,7,10,11-hexaiminotriphenyleneCu nodes / Cu-N4 coordination units · 2,3,6,7,10,11-hexaiminotriphenylene (HITP)2D · PristineTriphenylene-based conductive MOF with densely packed 2D honeycomb layers and approximately 2 nm 1D pore channels; XRD peaks assigned to Cu3(HITP)2 (100), (200), (210), (220), and (001).rendered page 3 / article p.26068 · Functionalization of SACs in cMOFs
Ir1-cMOFBrowse family: Cu₃(HITP)₂ / Cu–HITPIr single atoms stabilised on Cu3(HITP)2Cu nodes plus Ir single atoms · HITP2D · CompositeSAC-functionalised Cu3(HITP)2; atomic dispersion verified by HAADF-STEM/EDS, XPS Ir(III), and preserved XRD/FT-IR peaks.rendered page 4 / article p.26069 · Characterization of SACs Stabilized in cMOF · Figures S7-S9
Pd1-cMOFBrowse family: Cu₃(HITP)₂ / Cu–HITPPd single atoms stabilised on Cu3(HITP)2Cu nodes plus Pd single atoms coordinated by four N atoms across neighbouring HITP layers · HITP2D · CompositeSAC-functionalised Cu3(HITP)2; Pd single atoms stabilised at interplanar 1D pore-wall sites with Pd-N4 coordination.rendered pages 1 and 4 / article pp.26066 and 26069 · Abstract; Characterization of SACs Stabilized in cMOF · Figures 2e and S4; Table S2
Pd-NP@cMOFBrowse family: Cu₃(HITP)₂ / Cu–HITPapproximately 2 nm Pd nanoparticles encapsulated in Cu3(HITP)2Cu nodes plus Pd nanoparticles · HITP2D · CompositePd nanoparticle-encapsulated conductive MOF reference with XRD-retained Cu3(HITP)2 structure.rendered page 5 / article p.26070 · Chemiresistive Gas Sensing Properties of Pd1-cMOF · Figure S10

Sample register

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

Show 12 sample records
SampleForm and roleProcessing and geometrySource
Ag1-cMOF powderresearch_0163__mat__mat_ag1_cu3hitp2Powder · Target Sample · DopedAg single atoms electrodeposited on cMOF using AgNO3 precursor in deionised water; washed with deionised water and methanol and vacuum-dried.rendered pages 4 and 7 / article pp.26069 and 26072 · Characterization; Experimental Section · Figures S7-S9 and S15
Ag1-cMOF chemiresistorresearch_0163__mat__mat_ag1_cu3hitp2Thin Film · Target Sample · DopedAg1-cMOF powder drop-coated from ethanol suspension onto Au-interdigitated alumina substrate.Al2O3 sensor substrate with interdigitated Au electrodes · 5 uL suspension drop-coated three timesrendered page 5 / article p.26070 · Chemiresistive Gas Sensing Properties of Pd1-cMOF · Figure S15
cMOF-coated graphite working electroderesearch_0163__mat__mat_cu3hitp2Electrode · Composite Component · Pristine Framework15 mg cMOF in 1.5 mL anhydrous ethanol; 300 uL drop-coated five times with drying intervals.graphite plate, 40 x 20 x 1 mmrendered page 7 / article p.26072 · Experimental Section - Synthesis of Single-Atom-Stabilized cMOF · Figure 1b
Cu3(HITP)2 DFT modelresearch_0163__mat__mat_cu3hitp2Model · Model System · ModelInfinitely stacked bulk Cu3(HITP)2 model with eclipsed stacking; slab model with 20 A vacuum for basal-plane Pd binding-site comparison.rendered page 4 / article p.26069 · Characterization of SACs Stabilized in cMOF · Figures 5, S3 and S19
pristine cMOF powderresearch_0163__mat__mat_cu3hitp2Powder · Pristine Control · Pristine FrameworkCu3(HITP)2 powder washed twice with water and twice with methanol by centrifugation, then vacuum-dried overnight at room temperature.rendered page 7 / article p.26072 · Experimental Section - Synthesis of cMOF
pristine cMOF chemiresistorresearch_0163__mat__mat_cu3hitp2Thin Film · Pristine Control · Pristine FrameworkPristine cMOF powder drop-coated from ethanol suspension onto Au-interdigitated alumina substrate.Al2O3 sensor substrate with interdigitated Au electrodes spaced 75 um apart · Al2O3 substrate 2.5 x 2.5 x 0.2 mm; 5 uL suspension drop-coated three timesrendered page 8 / article p.26073 · Gas Sensing Measurement · Figures 4, S11 and S12
Ir1-cMOF powderresearch_0163__mat__mat_ir1_cu3hitp2Powder · Target Sample · DopedIr single atoms electrodeposited on cMOF using IrCl3.xH2O precursor in DMF; washed with DMF and methanol and vacuum-dried.rendered pages 4 and 7 / article pp.26069 and 26072 · Characterization; Experimental Section · Figures S7-S9
Pd1-Cu3(HITP)2 DFT modelresearch_0163__mat__mat_pd1_cu3hitp2Model · Model System · ModelDFT model of Pd single atom on Cu3(HITP)2 at basal-plane or interplanar 1D pore-wall sites and with NO2 adsorbate.rendered pages 4 and 6 / article pp.26069 and 26071 · Characterization; Elucidation of Gas Sensing Mechanisms · Figures 2e, 5 and S3
Pd1-cMOF powderresearch_0163__mat__mat_pd1_cu3hitp2Powder · Target Sample · DopedPd single atoms electrodeposited on cMOF and recovered after washing and centrifugation; dried in vacuum oven overnight at room temperature.rendered pages 3 and 7 / article pp.26068 and 26072 · Functionalization of SACs in cMOFs; Experimental Section · Figures 1b and 2; Table S1
Pd1-cMOF chemiresistorresearch_0163__mat__mat_pd1_cu3hitp2Thin Film · Target Sample · Doped6 mg sensing material dispersed in 300 mL ethanol, ultrasonicated 10 min, and drop-coated onto Au-interdigitated alumina substrate.Al2O3 sensor substrate with interdigitated Au electrodes spaced 75 um apart · Al2O3 substrate 2.5 x 2.5 x 0.2 mm; 5 uL suspension drop-coated three timesrendered pages 5 and 8 / article pp.26070 and 26073 · Chemiresistive Gas Sensing; Gas Sensing Measurement · Figure 4
Pd-NP@cMOF powderresearch_0163__mat__mat_pd_np_cu3hitp2Powder · Composite Sample · CompositePd nanoparticles generated inside cMOF pores using aqueous Pd(NH3)4(NO3)2 and NaBH4, then washed with water and vacuum-dried.rendered page 7 / article p.26072 · Experimental Section - Synthesis of Pd-NP@cMOF · Figure S10
Pd-NP@cMOF chemiresistorresearch_0163__mat__mat_pd_np_cu3hitp2Thin Film · Composite Sample · CompositePd-NP@cMOF powder drop-coated from ethanol suspension onto Au-interdigitated alumina substrate.Al2O3 sensor substrate with interdigitated Au electrodes spaced 75 um apart · 5 uL suspension drop-coated three timesrendered page 5 / article p.26070 · Chemiresistive Gas Sensing Properties of Pd1-cMOF · Figure S14