Huang X., Li Y., Fu S. et al. · Angewandte Chemie - International Edition · 2024 · e202320091
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.
Ag4TTHQ gives the best thermoelectric performance among the two target samples, with a 330 uV/K Seebeck coefficient and 10 uW m-1 K-2 power factor.
Caveat: Ag4TTBQ Seebeck and power factor values are not tabulated exactly in text and are approximate/figure-derived in this extraction.
main p.7 · Results and Discussion · Figure 4d-e; Figure S10 · Linked to 4 structured results
Ag4TTHQ and Ag4TTBQ share related two-dimensional Ag-S/HQ-BQ layer topology but ligand oxidation changes electronic structure, optical gap and conductivity.
Caveat: The compounds are not fully identical structurally; main text notes non-negligible structural differences and different unit-cell symmetry/size.
main p.8 · Conclusion · Linked to 6 structured results
Changing the silver source controls ligand redox state during synthesis: AgOAc preserves TTHQ/HQ to form Ag4TTHQ, whereas AgNO3 generates dilute HNO3 that oxidises TTHQ to TTBQ and yields Ag4TTBQ.
Caveat: The HNO3 mechanism is chemically inferred from proton release and nitrate; the control AgNO3/methanol route gives mixed phases.
main p.2 · Results and Discussion · Figure 1b · Linked to 3 structured results
Ag4TTBQ has higher pellet conductivity than Ag4TTHQ because its narrower gap lowers the thermal activation barrier for charge transport.
Caveat: Pellet data include both intrinsic and grain-boundary/extrinsic contributions.
main p.7 · Results and Discussion · Figure 4c; Figure S7 · Linked to 4 structured results
Both redox states retain high microscopic THz charge mobility above 100 cm2 V-1 s-1 because of comparable scattering times and small effective masses.
Caveat: THz mobility is microscopic/photoconductivity-derived from drop-cast films and is distinct from pellet DC conductivity.
main p.2 · Introduction summary · Linked to 4 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| Ag4TTBQ conjugated coordination polymer | [Ag4C6S4O2]nSilver Ag-S/Ag-O coordination network with two crystallographic Ag centres (Ag1 and Ag2) connected through Ag-Ag bonds and sulfur bridges. · 1,2,4,5-tetrathiolbenzoquinone-derived benzoquinone ligand (TTBQ/BQ state) | 2D · PristineMonoclinic I2/m by cRED and C2/m in Rietveld refinement; two-dimensional Ag-S inorganic networks separated by pi-stacking columns of organic BQ units. | main p.2 · Results and Discussion · Figure 1 |
| Ag4TTHQ conjugated coordination polymer | [Ag4C6S4O2H2]n; cRED/Rietveld cell formula Ag8C12S8O4H4Silver Ag-S/Ag-O coordination network with two crystallographic Ag centres (Ag1 and Ag2) connected through Ag-Ag bonds and sulfur bridges. · 1,2,4,5-tetrathiolhydroquinone-derived hydroquinone ligand (TTHQ/HQ state) | 2D · PristineMonoclinic C2/c structure with two-dimensional Ag-S inorganic networks separated by pi-stacking columns of organic HQ units; organic-metal chalcogen material. | main p.2 · Results and Discussion · Figure 1 |
| AgNO3/TTHQ one-pot methanol mixed-phase product | mixture of Ag4TTHQ and Ag4TTBQ phases inferredSilver coordination product from AgNO3 and TTHQ; phase mixture not fully assigned. · TTHQ/TTBQ mixture inferred from OH signal and poor crystallinity | unknown · UnknownControl reaction product; IR and PXRD indicate coexistence of Ag4TTHQ and Ag4TTBQ/other phases rather than a pure phase. | SI p.2 · One-pot synthesis trial by using AgNO3 · Figures S15-S16 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| Ag4TTBQ cRED TEM-grid nanocrystal sampleresearch_0272__mat__ag4ttbq | Single Crystal · Target Sample · Pristine Framework | 1 mg powder dispersed in 4 mL methanol, sonicated for 5 min, drop deposited on TEM copper grid and vacuum dried.TEM copper grid | SI p.4 · 3D Electron Diffraction Technique, continuous Rotation Electron Diffraction · Table S2 |
| Ag4TTBQ first-principles crystal-structure modelresearch_0272__mat__ag4ttbq | Model · Model System · Model | VASP geometry optimisation, HSE06 band structure/PDOS; molecular-orbital calculations of isolated motifs by Gaussian 09.not_applicable · periodic crystal model | SI p.8 · Calculation details · Figures S5-S6, S14 |
| drop-cast Ag4TTBQ THz filmresearch_0272__mat__ag4ttbq | Thin Film · Target Sample · Pristine Framework | 1 mg powder dispersed in 100 uL water/ethylene glycol (4:1 v/v), ultrasonicated for 1 h, then drop-cast to form a translucent film.fused silica/fused silicon substrate as stated in SI | SI p.7 · Ultrafast THz spectroscopy · Figures S11-S12 |
| pressed Ag4TTBQ pellet with gold electrodesresearch_0272__mat__ag4ttbq | Pellet · Target Sample · Pristine Framework | Powder ground, compressed at 50 MPa, four parallel gold electrodes evaporated through a shadow mask; channel width 500 um; gold wires attached with silver conducting paste.example 20 mg pellet approximately 500 um; pellet size 2 mm x 5 mm | SI pp.5-6 · Electrical property measurement |
| as-synthesised Ag4TTBQ black solid/nanocrystalline film productresearch_0272__mat__ag4ttbq | Powder · Target Sample · Pristine Framework | Interfacial black film broken into isolated nanocrystals by sonication; washed with DMF, water, methanol and diethyl ester. | SI p.2 · Interface synthesis of Ag4TTBQ · Figure S1 |
| Ag4TTHQ cRED TEM-grid nanocrystal sampleresearch_0272__mat__ag4tthq | Single Crystal · Target Sample · Pristine Framework | 1 mg powder dispersed in 4 mL methanol, sonicated for 5 min, drop deposited on TEM copper grid and vacuum dried.TEM copper grid | SI p.4 · 3D Electron Diffraction Technique, continuous Rotation Electron Diffraction · Table S1 |
| Ag4TTHQ first-principles crystal-structure modelresearch_0272__mat__ag4tthq | Model · Model System · Model | VASP geometry optimisation, HSE06 band structure/PDOS; molecular-orbital calculations of isolated motifs by Gaussian 09.not_applicable · periodic crystal model | SI p.8 · Calculation details · Figures S5-S6, S14 |
| drop-cast Ag4TTHQ THz filmresearch_0272__mat__ag4tthq | Thin Film · Target Sample · Pristine Framework | 1 mg powder dispersed in 100 uL water/ethylene glycol (4:1 v/v), ultrasonicated for 1 h, then drop-cast to form a translucent film.fused silica/fused silicon substrate as stated in SI | SI p.7 · Ultrafast THz spectroscopy · Figures S11-S12 |
| pressed Ag4TTHQ pellet with gold electrodesresearch_0272__mat__ag4tthq | Pellet · Target Sample · Pristine Framework | Powder ground, compressed at 50 MPa, four parallel gold electrodes evaporated through a shadow mask; channel width 500 um; gold wires attached with silver conducting paste.example 20 mg pellet approximately 500 um; pellet size 2 mm x 5 mm | SI pp.5-6 · Electrical property measurement |
| as-synthesised Ag4TTHQ dark red/dark brown powderresearch_0272__mat__ag4tthq | Powder · Target Sample · Pristine Framework | One-pot methanol reaction product; filtered, washed with DMF, water, methanol and diethyl ether, then dried under vacuum at 85 deg C for 12 h. | SI p.1 · One-pot synthesis of Ag4TTHQ · Figure S1 |
| AgNO3 plus TTHQ one-pot methanol control productresearch_0272__mat__agno3_methanol_mixed_product | Powder · Pristine Control · Unknown | One-pot AgNO3/TTHQ reaction in degassed methanol; reaction product examined by IR and PXRD. | main p.2 · Results and Discussion |