Tang X., Wang X., Su S. et al. · Journal of the American Chemical Society · 2025 · 20899-20908
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.
Partial C60 loading can retain accessible porosity while maintaining very high conductivity, especially at 54% channel occupancy.
Caveat: 25% occupancy preserves more surface area but gives much lower conductivity.
main p007 / journal p20905 · Electrical Conductivity · Figure 4 · Linked to 3 structured results
NU-4001 and NU-4002 show evidence of partial framework collapse or reduced crystallinity after activation even with scCO2.
Caveat: CO2 BET confirms permanent porosity, but lower-than-calculated surface areas and PXRD broadening indicate reduced long-range order.
main p003 / journal p20901 · Synthesis and Structural Characterization · Figures S19-S21 · Linked to 2 structured results
Closer and more continuous pi-pi stacking correlates with higher pristine-framework conductivity from NU-4000 to NU-4003.
Caveat: Authors note atmosphere can alter measured MOF conductivity by as much as an order of magnitude.
main p005 / journal p20903 · Electrical Conductivity · Linked to 5 structured results
Changing the DMF/toluene/water ratio directs assembly of distinct NU-4000-NU-4003 topologies and pi-pi stacking arrangements.
Caveat: Control experiments suggest NU-4001 and NU-4002 are intermediate/metastable states.
main p004 / journal p20902 · Structure Analysis and Description · Scheme 1 · Linked to 4 structured results
C60 encapsulation strongly enhances NU-4003 conductivity through donor-acceptor charge transfer combined with through-space transport.
Caveat: Mechanism is supported by spectroscopy and DFT but described partly as speculation in the conductivity section.
main p006-p008 / journal p20904-p20906 · Electrical Conductivity / DFT Simulation · Figures 3-4 · Linked to 4 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| NU-4000 | [Cu2L4(H2O)] reported; empirical C120H60Cu2O25Cu2 paddlewheel unit · triphenylene-based hexatopic carboxylate linker H6L | 3D · Pristinetetragonal P4bm; novel 2,6-connected net; staggered linker stacking | main p002 / journal p20900 · Results and Discussion |
| NU-4001 | [Cu2L] reported; empirical C60H30Cu2O12binuclear Cu cluster; dimethylamine coordinated in asymmetric unit · H6L | 3D · Pristinetriclinic P-1; known unimodal 5-connected bnn net | main p003-p004 / journal p20901-p20902 · Structure Analysis and Description |
| NU-4002 | [Cu3L(H2O)2] reported; empirical C60H30Cu3O14trinuclear Cu clusters with paddlewheel and planar Cu sites · H6L | 3D · Pristinemonoclinic P21/n; novel 6,8-connected net | main p004 / journal p20902 · Structure Analysis and Description |
| NU-4003 | [Cu3L(H2O)3] reported; empirical C60H30Cu3O15planar Cu ions forming water-bridged chains · H6L | 3D · Pristinetrigonal P-31c; 4,6-connected net; long-range AA pi-pi stacking | main p004 / journal p20902 · Structure Analysis and Description |
| NU-4003-C60 | NU-4003 host with encapsulated C60; full-loading sample about 38 wt % C60NU-4003 Cu-chain framework · H6L plus C60 guest | 3D · Compositehost-guest adduct retaining NU-4003 crystallinity by PXRD and DFT-optimised host-guest model | main p006 / journal p20904 · Electrical Conductivity · Table 1 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| NU-4000research_0077__mat__mat_nu4000 | Single Crystal · Target Sample · Pristine Framework | activated at 80 C overnight under dynamic vacuum; crystals/powders used for SCXRD, sorption, I-V, microscopy and TGA | main p005 / journal p20903 · Electrical Conductivity |
| NU-4001research_0077__mat__mat_nu4001 | Single Crystal · Target Sample · Pristine Framework | activated either at 60 C overnight under dynamic vacuum or with supercritical CO2 | main p003 / journal p20901 · Synthesis and Structural Characterization |
| NU-4002research_0077__mat__mat_nu4002 | Single Crystal · Target Sample · Pristine Framework | activated either at 60 C overnight under dynamic vacuum or with supercritical CO2 | main p003 / journal p20901 · Synthesis and Structural Characterization |
| NU-4003research_0077__mat__mat_nu4003 | Single Crystal · Pristine Control · Pristine Framework | activated at 80 C overnight under dynamic vacuum; pristine host/control for C60 loading | main p006 / journal p20904 · Electrical Conductivity |
| NU-4003-C60-0.25research_0077__mat__mat_nu4003_c60 | Single Crystal · Target Sample · Guest Loaded | about 13 wt % C60; 25% channel volume filled | main p007 / journal p20905 · Electrical Conductivity · Figure 2 |
| NU-4003-C60-0.36research_0077__mat__mat_nu4003_c60 | Single Crystal · Target Sample · Guest Loaded | about 17 wt % C60; 36% channel volume filled | main p007 / journal p20905 · Electrical Conductivity · Figure 2 |
| NU-4003-C60-0.54research_0077__mat__mat_nu4003_c60 | Single Crystal · Target Sample · Guest Loaded | about 24 wt % C60; 54% channel volume filled | main p007 / journal p20905 · Electrical Conductivity · Figure 2 |
| NU-4003-C60research_0077__mat__mat_nu4003_c60 | Single Crystal · Target Sample · Guest Loaded | full/near-full C60 occupancy; about 38 wt % C60; BET nearly zero | main p006 / journal p20904 · Electrical Conductivity · Table 1 |