Lee D.Y., Kim E.-K., Shrestha N.K. et al. · ACS Applied Materials and Interfaces · 2015 · 18501-18507
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 iodine-doped Co3(NDC)3 HOMO-LUMO levels are suitably aligned for interfacial photoelectron injection into ITO or TiO2.
Caveat: Device fabrication details are partial and IPCE maximum is visually estimated from SI Figure S10.
18505 · Conclusions · Figures 6, S10 · Linked to 5 structured results
The calculated ideal hole concentration is several orders of magnitude higher than the Hall-measured carrier concentration because real films contain grain boundaries and structural imperfections.
Caveat: The calculated value assumes all charge carriers participate without barriers.
18504 · Results and Discussion · Linked to 3 structured results
LbL iodine-doped films are more conductive than doctor-blade films, probably because LbL films have fewer grain boundaries and more compact layers.
Caveat: The grain-boundary explanation is proposed by the authors; no direct grain-boundary density measurement is reported.
18502 · Results and Discussion · Figure 1; Figure 3B · Linked to 4 structured results
The conductivity increase is attributed to charge-transfer complex formation between iodine and aromatic NDC ligand pi electrons, not oxidation of Co(II).
Caveat: XPS and DFT evidence supports the assignment, but the exact fraction of iodine participating in charge transfer is inferred from spectral decomposition and modelling.
18503 · Results and Discussion · Figures S3-S6 · Linked to 5 structured results
Iodine doping converts otherwise insulating Co3(NDC)3 films into p-type semiconducting films by introducing holes into the framework.
Caveat: Carrier concentration is far below the ideal calculated hole density; authors attribute the difference to grain boundaries and imperfections.
18503 · Results and Discussion · Table 1; Table S1; Figure S5 · Linked to 5 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| Co3(NDC)3 cobalt 2,6-naphthalenedicarboxylate MOF | Co3(NDC)3DMF4, denoted Co3(NDC)3 in the paperLinear trinuclear Co(II) sub-building units linked by carboxylate groups. · 2,6-naphthalenedicarboxylate (NDC) ligands with aromatic naphthalene rings. | 3D · PristineNeutral 3D framework with 1D channels along the a- and c-axes; bulk powder and DB/LbL films show the same characteristic crystalline structure by XRD. | 18502-18503 · Results and Discussion · Figure 2 |
| Iodine-doped Co3(NDC)3 charge-transfer MOF | Co3(NDC)3 with iodine guest molecules; about 0.35 iodine molecules per unit cell reportedCo(II)-based Co3(NDC)3 framework; Co 2p XPS is reported not to shift after iodine doping. · NDC aromatic rings acting as electron donors toward iodine acceptors. | 3D · PristineIodine-loaded Co3(NDC)3 retaining the framework absorption edge, showing I 3d/I3- XPS evidence and p-type Hall effect. | 18503 · Results and Discussion · Table 1; Figures 3-5 |
| Iodine-doped Co3(NDC)3 sensitised TiO2/FTO photoelectrochemical cell | FTO/TiO2/Co3(NDC)3-I2/Pt with I-/I3- electrolyteCo(II) nodes in Co3(NDC)3; TiO2 mesoporous film as electron-accepting semiconductor. · NDC linkers in Co3(NDC)3. | 3D · CompositeComposite device stack using iodine-doped Co3(NDC)3 as light-harvesting layer on TiO2/FTO. | 18505 · Results and Discussion · Figure S10 |
| Iodine-loaded naphthalene dicarboxylic acid model system | NDC plus I2None · Naphthalene dicarboxylic acid molecular analogue of the MOF linker. | 0D · Model SystemMolecular model system used to support iodine-aromatic charge-transfer assignment by UV-visible spectroscopy and DFT. | 18504 · Results and Discussion · Figures 4B and 5B |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| Bulk Co3(NDC)3 powderresearch_0067__mat__mat_co3ndc3 | Powder · Pristine Control · Pristine Framework | Bulk Co3(NDC)3 synthesised from Co(NO3)2.3H2O and 2,6-NDC in DMF and used as reference material for film characterisation. | S2 · Experimental details, 1.1 |
| Pristine Co3(NDC)3 doctor-blade film on glassresearch_0067__mat__mat_co3ndc3 | Thin Film · Pristine Control · Pristine Framework | Bulk MOF/PEG/ethanol/water paste doctor-bladed and annealed at 250 deg C before iodine doping.Nonconducting glass · not reported | S2 · Experimental details, 1.2 |
| Pristine Co3(NDC)3 doctor-blade film on ITOresearch_0067__mat__mat_co3ndc3 | Thin Film · Pristine Control · Pristine Framework | Doctor-bladed Co3(NDC)3 film on ITO before iodine doping.ITO glass · not reported | 18505 · Results and Discussion · Figure 6 |
| Pristine Co3(NDC)3 LbL film on amine-functionalised glassresearch_0067__mat__mat_co3ndc3 | Thin Film · Pristine Control · Pristine Framework | 20-cycle layer-by-layer Co3(NDC)3 film before iodine doping.Amine-functionalised nonconducting glass · not reported | S2 · Experimental details, 1.3 |
| Pristine Co3(NDC)3 LbL film on ITOresearch_0067__mat__mat_co3ndc3 | Thin Film · Pristine Control · Pristine Framework | 20-cycle LbL film on ITO before iodine doping, used for PL and electrochemical comparisons.ITO glass · not reported | S2 · Experimental details, 1.3 |
| Iodine-doped Co3(NDC)3 doctor-blade film on glassresearch_0067__mat__mat_i2_co3ndc3 | Thin Film · Target Sample · Doped | Doctor-blade Co3(NDC)3 film dipped in 0.1 M I2 in acetonitrile for 2 h at 50 deg C.Nonconducting glass · not reported | S3 · Experimental details, 1.4 |
| Iodine-doped Co3(NDC)3 doctor-blade film on ITOresearch_0067__mat__mat_i2_co3ndc3 | Thin Film · Target Sample · Doped | Doctor-blade Co3(NDC)3 film on ITO after iodine doping.ITO glass · not reported | 18505 · Results and Discussion · Figure 6 |
| Iodine-doped Co3(NDC)3 LbL film on glassresearch_0067__mat__mat_i2_co3ndc3 | Thin Film · Target Sample · Doped | LbL Co3(NDC)3 film dipped in 0.1 M I2 in acetonitrile for 2 h at 50 deg C.Amine-functionalised nonconducting glass / glass substrate · not reported | S3 · Experimental details, 1.4 |
| Iodine-doped Co3(NDC)3 LbL film on ITOresearch_0067__mat__mat_i2_co3ndc3 | Thin Film · Target Sample · Doped | LbL Co3(NDC)3 film on ITO after iodine doping.ITO glass · not reported | 18505 · Results and Discussion · Figure 6 |
| Iodine-doped Co3(NDC)3 sensitised TiO2/FTO Graetzel-type cellresearch_0067__mat__mat_i2_co3ndc3_tio2_device | Electrode · Composite Sample · Composite | TiO2/FTO sensitised with Co3(NDC)3 layers by LbL, iodine doped, and assembled with Pt counter electrode and I-/I3- electrolyte.FTO with doctor-bladed mesoporous TiO2 film · not reported | 18505 · Results and Discussion · Figure S10 |
| Iodine plus naphthalene dicarboxylic acid modelresearch_0067__mat__mat_i2_ndc_model | Model · Model System · Model | Saturated suspension of naphthalene dicarboxylic acid with iodine in chloroform and corresponding DFT model. | 18504 · Results and Discussion · Figure 4B |