Primary studyCore evidenceTheory Transport

Defect Engineering to Tailor Metal Vacancies in 2D Conductive Metal-Organic Frameworks: An Example in Electrochemical Sensing

Luo Y., Wu Y., Braun A. et al. · ACS Nano · 2022 · 20820-20830

4materials
17samples
10synthesis routes
21measurements
55results
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

The Cu-BHT pH 2 screen-printed sensor shows practical H2O2 detection with high sensitivity, low detection limit, wide linear range, stability, anti-interference, and real-sample recovery.

Caveat: Application performance is for an engineered sensor device rather than a standalone film; long-term stability reported over one month only.

20827 · Practical Applications · Figure 5; Tables S5-S6 · Linked to 7 structured results

Structure Property LinkSupport assessment: Medium

The enhanced electrocatalytic properties of defective Cu-BHT are attributed mainly to intrinsic activity and active-site accessibility rather than increased BET surface area.

Caveat: Surface areas are similar but not identical; authors normalise by ECSA to support intrinsic activity.

20825 · Electrochemical Sensing Performance · Figure S20 · Linked to 5 structured results

Structure Property LinkSupport assessment: High

Cu vacancies provide additional active sites and tune electronic structure, improving H2O2 adsorption, lowering charge-transfer resistance, and boosting H2O2 sensing performance.

Caveat: Mechanistic adsorption/free-energy evidence is computational; sensor performance is measured on a screen-printed device containing Cu-BHT film and electrode substrate.

20825-20827 · Electrochemical Sensing Performance · Figures 4 and 5; Figures S20-S27 · Linked to 6 structured results

Structure Property LinkSupport assessment: Medium

Higher metal-vacancy concentration decreases electrical conductivity in the Cu-BHT, Ni-BHT, and Ag-BHT pH series, although Cu-BHT retains metallic-like transport behaviour.

Caveat: Absolute conductivity values were read from plotted bar charts, so they are approximate. The qualitative trend is explicitly stated in text.

20825 · Results and Discussion · Figure 2d-f; Figure S15 · Linked to 6 structured results

Synthesis MechanismSupport assessment: High

Adjusting proton concentration during liquid-liquid interfacial self-assembly controls the reaction rate and tunes metal vacancies in Cu-BHT, Ni-BHT, and Ag-BHT films.

Caveat: Ni-BHT and Ag-BHT synthesis details are partly abbreviated as a similar process; vacancy inference is primarily compositional and spectroscopic.

20822-20825 · Results and Discussion · Figures 1-3; Tables S1-S3 · Linked to 5 structured results

Material identities

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

MaterialCompositionStructure contextSource
Ag-BHTBrowse family: Ag₅(C₆S₆) / Ag–BHTAg-BHT / dense planar silver-BHT coordination polymer, composition varies with pHAg centres; Ag vacancies inferred from pH-dependent elemental composition · benzenehexathiolato (BHT)2D · Pristine2D conductive metal-BHT polymer film; dense planar Ag-BHT structure and XRD pattern shown in SI Figure S19.20825 · Results and Discussion · Figure S19 and Table S3
Cu-BHTBrowse family: Cu₃(C₆S₆) / Cu–BHTCu3(C6S6)n nominal; Cu-deficient variantsCu(I) centres; Cu vacancies intentionally varied · benzenehexathiolato (BHT, C6S6)2D · Pristine2D pi-d conjugated copper benzenehexathiolato coordination polymer film; XRD indexed to the Cu-BHT phase.20822-20823 · Results and Discussion · Figures 1-3
Cu-BHT computational modelsBrowse family: Cu₃(C₆S₆) / Cu–BHT3 x 3 Cu-BHT supercell; perfect and double-Cu-vacancy defective modelsCu nodes in perfect or double-vacancy configurations · benzenehexathiolato (BHT)2D · Model SystemDFT model systems based on a 3 x 3 Cu-BHT supercell with six double-Cu-vacancy configurations.8-10 · 2.1 Density Functional Theory (DFT) Method and Models · Figures S3-S4
Ni-BHTBrowse family: Ni₃(C₆S₆)₂ / Ni–BHT / NiDTNi3BHT / porous Kagome-type Ni-BHT, composition varies with pHNi centres; Ni vacancies inferred from pH-dependent elemental composition · benzenehexathiolato (BHT)2D · Pristine2D conductive metal-BHT polymer film; monolayer Ni-BHT structure and XRD pattern shown in SI Figure S19.20825 · Results and Discussion · Figure S19 and Table S2

Sample register

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

Show 17 sample records
SampleForm and roleProcessing and geometrySource
Ag-BHT film prepared at pH 0research_0379__mat__mat_ag_bhtThin Film · Pristine Control · Pristine FrameworkLow-defect Ag-BHT control in the pH series.Not specifically stated; obtained metal-BHT thin films transferred/washed/dried.30 · 2.3 Supplemental Data · Table S3
Ag-BHT film prepared at pH 1research_0379__mat__mat_ag_bhtThin Film · Target Sample · Pristine FrameworkIntermediate pH-regulated Ag-BHT film.Not specifically stated; obtained metal-BHT thin films transferred/washed/dried.30 · 2.3 Supplemental Data · Table S3
Ag-BHT film prepared at pH 2research_0379__mat__mat_ag_bhtThin Film · Target Sample · Pristine FrameworkpH-regulated Ag-BHT film with highest reported Ag deficiency in the series.Not specifically stated; obtained metal-BHT thin films transferred/washed/dried.30 · 2.3 Supplemental Data · Table S3
Cu-BHT double-vacancy model Defect-1research_0379__mat__mat_cu_bht_modelModel · Model System · ModelDFT defective supercell model.vacuum space 20 Angstrom10 · 2.1 Density Functional Theory (DFT) Method and Models · Figure S4
Cu-BHT double-vacancy model Defect-2research_0379__mat__mat_cu_bht_modelModel · Model System · ModelDFT defective supercell model; lowest total energy among six models.vacuum space 20 Angstrom20827 · Results and Discussion · Figure S4; Figure 4g-i
Cu-BHT double-vacancy model Defect-3research_0379__mat__mat_cu_bht_modelModel · Model System · ModelDFT defective supercell model.vacuum space 20 Angstrom10 · 2.1 Density Functional Theory (DFT) Method and Models · Figure S4
Cu-BHT double-vacancy model Defect-4research_0379__mat__mat_cu_bht_modelModel · Model System · ModelDFT defective supercell model.vacuum space 20 Angstrom10 · 2.1 Density Functional Theory (DFT) Method and Models · Figure S4
Cu-BHT double-vacancy model Defect-5research_0379__mat__mat_cu_bht_modelModel · Model System · ModelDFT defective supercell model.vacuum space 20 Angstrom10 · 2.1 Density Functional Theory (DFT) Method and Models · Figure S4
Cu-BHT double-vacancy model Defect-6research_0379__mat__mat_cu_bht_modelModel · Model System · ModelDFT defective supercell model.vacuum space 20 Angstrom10 · 2.1 Density Functional Theory (DFT) Method and Models · Figure S4
Perfect Cu-BHT 3 x 3 supercellresearch_0379__mat__mat_cu_bht_modelModel · Model System · ModelDFT perfect supercell model.vacuum space 20 Angstrom8-9 · 2.1 Density Functional Theory (DFT) Method and Models · Figure S3
Cu-BHT film prepared at pH 0research_0379__mat__mat_cu_bhtThin Film · Pristine Control · Pristine FrameworkSlowest self-assembly Cu-BHT film; lowest vacancy concentration in the studied pH series.Transferred to substrates by Langmuir-Schaefer method where needed. · approximately 100 nm20823-20824 · Results and Discussion · Figures 2-3; Table S1
Cu-BHT film prepared at pH 1research_0379__mat__mat_cu_bhtThin Film · Target Sample · Pristine FrameworkIntermediate Cu-vacancy Cu-BHT film.Transferred to substrates by Langmuir-Schaefer method where needed. · approximately 100 nm20823-20824 · Results and Discussion · Figures 2-3; Table S1
Cu-BHT film prepared at pH 2research_0379__mat__mat_cu_bhtThin Film · Target Sample · Pristine FrameworkLiquid-liquid interfacial film; most Cu-deficient / highest metal-vacancy sample in the pH series.Transferred to substrates by Langmuir-Schaefer method where needed; screen-printed PET for sensor tests. · approximately 100 nm20823-20824 · Results and Discussion · Figures 2-4; Table S1
Screen-printed Cu-BHT pH 2 electrochemical sensorresearch_0379__mat__mat_cu_bhtElectrode · Target Sample · CompositeCu-BHT pH 2 film transferred to screen-printed substrate and O2-plasma patterned.Flexible PET screen-printed three-electrode substrate with Ag/AgCl reference/connectors and carbon working/counter electrodes. · working electrode diameter 3 mm; 50 uL sample droplet used3-4 · 1.3 Design and Fabrication of the Screen-Printed Sensor · Figure S2
Ni-BHT film prepared at pH 0research_0379__mat__mat_ni_bhtThin Film · Pristine Control · Pristine FrameworkLow-defect Ni-BHT control in the pH series.Not specifically stated; obtained metal-BHT thin films transferred/washed/dried.29 · 2.3 Supplemental Data · Table S2
Ni-BHT film prepared at pH 1research_0379__mat__mat_ni_bhtThin Film · Target Sample · Pristine FrameworkIntermediate pH-regulated Ni-BHT film.Not specifically stated; obtained metal-BHT thin films transferred/washed/dried.29 · 2.3 Supplemental Data · Table S2
Ni-BHT film prepared at pH 2research_0379__mat__mat_ni_bhtThin Film · Target Sample · Pristine FrameworkpH-regulated Ni-BHT film with highest reported Ni deficiency in the series.Not specifically stated; obtained metal-BHT thin films transferred/washed/dried.29 · 2.3 Supplemental Data · Table S2