Chen X., Lu Y., Dong J. et al. · ACS Applied Materials and Interfaces · 2020 · 57235-57244
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.
The Cu-BHT/PET sensor maintains NH3 sensing after severe bending and 1000 bending cycles, supporting wearable sensor relevance.
Caveat: Cycle-resolved responses are mainly plotted; exact percentage drift after 1000 cycles is not tabulated.
p006; article page 57240 · 3.4 Mechanical Stability · Figure 4d · Linked to 2 structured results
The film is assigned to the expected 2D kagome Cu-BHT structure because experimental XRD matches the simulated pattern and the paper describes AA stacking.
Caveat: No CIF supplied in the assignment; structure assignment follows reported XRD and text.
p004; article page 57238 · 3.2 Characterization · Figure 2b · Linked to 2 structured results
Cu-BHT-2min gives the best NH3 response because it balances high Cu amount, abundant Cu2c active sites, grain-boundary diffusion paths and short film thickness.
Caveat: The 5 s film has a larger Cu2c percentage but lower total Cu content and incomplete coordination.
p008; article page 57242 · 3.5 Sensing Mechanism · Figure 5a · Linked to 4 structured results
Spin-coating interfacial self-assembly enables direct in situ synthesis of centimetre-sized Cu-BHT films on multiple substrates within seconds, with thickness controlled by reaction time.
Caveat: BHT concentration differs between methods text and Figure 1 sketch; exact recipe uses methods text.
p008; article page 57242 · 4. Conclusion · Linked to 2 structured results
Two-coordinated Cu2c sites act as Lewis acid sites for strong NH3 adsorption and improve chemiresistive sensing performance.
Caveat: DFT strongest adsorption site is reported as Cu2c; note the main text contains a likely plane-label inconsistency around Cu2c on (001)/(100).
p007-p008; article pages 57241-57242 · 3.5 Sensing Mechanism · Figure 5 · Linked to 4 structured results
NH3 adsorption injects electrons into Cu-BHT, raises Fermi/HOMO levels, reduces hole carrier concentration and increases resistance during sensing.
Caveat: Carrier-type interpretation is argued from UPS shifts and sensing polarity, not direct Hall measurements in the supplied documents.
p008; article page 57242 · 3.5 Sensing Mechanism · Figure 5c · Linked to 3 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| Copper benzenehexathiol conductive metal-organic framework (Cu-BHT)Browse family: Cu₃(C₆S₆) / Cu–BHT | Cu3C6S6 (reported computational unit cell); Cu-BHTCu ions/Cu nodes; surface environments assigned as four-coordinated Cu4c and two-coordinated Cu2c sites. · Benzenehexathiol (BHT). | 2D · Pristine2D kagome lattice in the ab plane with AA layer stacking; XRD pattern matches simulated Cu-BHT pattern. | p004; article page 57238 · 3.1 Strategy · Figure 1f |
| Cu3C6S6 surface model for NH3 adsorptionBrowse family: Cu₃(C₆S₆) / Cu–BHT | Cu3C6S6 slab modelCu atoms in Cu4c and edge Cu2c surface coordination environments. · BHT-derived C6S6 framework in the computational slab. | 2D · Model SystemHexagonal Cu3C6S6 unit cell; (001) surface with p(3 x 2) periodicity and an edge row removed to expose two-coordinated Cu atoms. | p004; article page 57238 · 2.6 Computational Method |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| Cu-BHT-2 min chemiresistor sensor on Si/SiO2/Au interdigitated electrodesresearch_0134__mat__mat_cubht | Electrode · Target Sample · Pristine Framework | Cr/Au electrodes fabricated by thermal evaporation through mask; Cu-BHT film grown in situ by SCIS; tested at 0.01 V in homemade gas sensing system.1.7 x 1.7 cm Si/SiO2 wafer with Cr (5 nm)/Au (100 nm) interdigitated electrodes; 200 um channel length and 2000 um channel width · 10 nm thick Cu-BHT film; 2 min reaction time | p002 and p005; article pages 57236, 57239 · 2.4 Sensor Fabrication; 3.3 Gas-Sensing · Figure 3 |
| Cu-BHT-5s film on Si/SiO2research_0134__mat__mat_cubht | Thin Film · Target Sample · Pristine Framework | SCIS reaction time 5 s; rinsed with chlorobenzene, ethanol, water and acetone; vacuum dried at 60 deg C for 12 h.Hydroxyl-rich Si/SiO2 substrate · about 5 nm; AFM height profile 5.42 nm in Figure S2 | p003; article page 57237 · Figure captions · Figure 2a |
| Flexible Cu-BHT chemiresistor sensor on PET/Au electrodesresearch_0134__mat__mat_cubht | Electrode · Target Sample · Pristine Framework | PET treated by ozone cleaner at 100 W for 1 min; Cu-BHT film grown in situ by SCIS; tested under bending radii of flat, 10, 7 and 3 mm and 1000 bending cycles.PET substrate with pre-deposited Au interdigitated electrodes · 10 nm thick Cu-BHT film | p006; article page 57240 · 3.4 Mechanical Stability · Figure 4 |
| Cu-BHT film reaction-time seriesresearch_0134__mat__mat_cubht | Thin Film · Target Sample · Pristine Framework | SCIS growth with reaction times of 5 s and 2-16 min; surface morphology, thickness, conductivity and XPS analysed versus reaction time.Primarily hydroxyl-rich Si/SiO2; substrate extension shown on glass, Si, Si/SiO2 and PET/Au electrodes · 5-35 nm, tuned by reaction time from 5 s to 16 min | p002-p004; article pages 57236-57238 · 2.2 and 3.2 · Figures 2, S2-S5 |
| Cu-BHT films on glass, silicon, Si/SiO2 and PET substratesresearch_0134__mat__mat_cubht | Thin Film · Target Sample · Pristine Framework | SCIS synthesis after hydroxyl-rich or ozone treatment, depending on substrate.Glass, silicon, Si/SiO2 and PET with pre-deposited Au interdigitated electrodes · Not individually tabulated; SI substrate examples use 2 min reaction time | p005 · Figure S4 caption · Figure S4 |
| Cu3C6S6 slab with NH3 adsorption sitesresearch_0134__mat__mat_cubht_surface_model | Model · Model System · Model | VASP/PBE/PAW/DFT-D3 geometry-optimised slab; NH3 adsorbed at top C, top S, edge S, Cu4c and Cu2c sites.Vacuum-separated periodic DFT surface model · Three-layer A-A-A stacked slab with 15 A vacuum | p004; article page 57238 · 2.6 Computational Method |