Primary studyCore evidenceTransport Physics

Ultrathin Self-Assembly Two-Dimensional Metal-Organic Framework Films as Hole Transport Layers in Ideal-Bandgap Perovskite Solar Cells

Cao J., Liu C.-K., Piradi V. et al. · ACS Energy Letters · 2022 · 3362-3369

4materials
12samples
3synthesis routes
11measurements
43results
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

Ultrathin Cu3(HHTT)2 2D c-MOF films function as effective hole transport layers for MA-free ideal-bandgap Pb-Sn perovskite solar cells.

Caveat: Evidence is photovoltaic-device performance and interface spectroscopy, not direct standalone MOF conductivity in this paper.

p001 / article p.3362 · Abstract · Linked to 3 structured results

Application RelevanceSupport assessment: Medium

The layer-by-layer Cu3(HHTT)2 self-assembly route is presented as compatible with large-area and flexible device fabrication.

Caveat: Large-area evidence is ca. 1 cm2 devices; no module-scale roll-to-roll demonstration is reported.

p005-p006 / article p.3366-3367 · Conclusion · Figure S15 · Linked to 3 structured results

CaveatSupport assessment: High

The MOF film route is partly specified, but precursor concentrations, post-immersion workup and activation are not reported in the available SI.

Caveat: Recipe completeness for the cMOF film is therefore partial rather than complete.

p003-p004 / SI p.3-p.4 · Synthesis of MOF

Structure Property LinkSupport assessment: High

The ultrasmooth Cu3(HHTT)2 surface improves perovskite crystallinity, increasing grain size and reducing microstrain compared with NiOx.

Caveat: Causal attribution is inferred by the authors from comparative morphology and XRD.

p004 / article p.3365 · Main text · Figure 2 · Linked to 3 structured results

Transport MechanismSupport assessment: High

Cu3(HHTT)2 passivates perovskite interfacial defects, lowering trap density and improving carrier extraction and stability.

Caveat: DFT model uses simplified MAPb0.5Sn0.5I3 surfaces rather than the exact experimental FA/Cs Pb-Sn-Br-I composition.

p005 / article p.3366 · Main text · Figure 5 · Linked to 4 structured results

Material identities

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

MaterialCompositionStructure contextSource
Cu3(HHTT)2 2D c-MOFBrowse family: Cu₃(HHTT)₂ (tetraaza–HHTT)Cu3(HHTT)2; HHTT = 2,3,7,8,12,13-hexahydroxytetraazanaphthotetrapheneSquare-planar Cu2+ ions coordinated to HHTT-derived oxygen sites · HHTT ligand with enlarged pi-conjugation and embedded nitrogen heteroatoms2D · PristineHighly oriented 2D conjugated MOF thin film with hexagonal in-plane crystal structure and ca. 0.32 nm interlayer spacing.p002 / article p.3363 · Main text · Figure 1
MAPb0.5Sn0.5I3/Cu3(HHTT)2 interface modelMAPb0.5Sn0.5I3 surface with SnI or PbI antisite defects passivated by Cu3(HHTT)2Model Pb, Sn, Cu and iodide-containing interface · Model Cu3(HHTT)2 coatingunknown · Model SystemDFT supercells of defective perovskite surfaces with and without MOF passivation.p005-p006 / article p.3366-3367 · Main text · Figure 5; Figure S17
NiOx hole transport layer controlNiOxNickel oxide control, not a MOFunknown · UnknownControl hole transport layer deposited on ITO for comparison with Cu3(HHTT)2.p004 / article p.3365 · Main text · Figure 3f; Figure S11
MA-free Pb-Sn mixed perovskiteFA0.83Cs0.17Sn0.35Pb0.65I2.9Br0.1Pb-Sn mixed halide perovskite absorber3D · UnknownIdeal-bandgap perovskite absorber with reported bandgap of 1.33 eV.p002 / article p.3363 · Main text

Sample register

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

Show 12 sample records
SampleForm and roleProcessing and geometrySource
ultrathin Cu3(HHTT)2 film on ITOresearch_0261__mat__mat_cu3_hhtt2Thin Film · Target Sample · Pristine FrameworkLayer-by-layer self-assembled film; optimum Cu dipping 5 min and HHTT dipping 10 min.ITO glass · ca. 6 nm under optimum one-cycle conditions; AFM edge profile ca. 6.4 nmp004 / article p.3365 · Main text · Figure S10
Cu3(HHTT)2 film on SiO2/Siresearch_0261__mat__mat_cu3_hhtt2Thin Film · Pristine Control · Pristine FrameworkSelf-assembled film used for AFM morphology.SiO2/Si · not specified for roughness samplep004 / article p.3365 · Main text · Figure 1g
thick Cu3(HHTT)2 filmresearch_0261__mat__mat_cu3_hhtt2Thin Film · Pristine Control · Pristine FrameworkThick film used for absorption edge / bandgap estimate.not specified · ca. 80 nmp004 / article p.3365 · Main text · Figure S2
Cu3(HHTT)2-passivated perovskite antisite-defect supercellsresearch_0261__mat__mat_dft_interface_modelModel · Model System · ModelDFT-relaxed MAPb0.5Sn0.5I3 PbI2/SnI2 surfaces with SnI or PbI antisite defects and Cu3(HHTT)2 coating.p004-p005 / SI p.4-p.5 · DFT Simulation · Figure S17
hole-only Cu3(HHTT)2/perovskite/Au deviceresearch_0261__mat__mat_cu3_hhtt2Electrode · Composite Sample · CompositeITO/Cu3(HHTT)2/perovskite/Au hole-only device for SCLC.ITOp005 / article p.3366 · Main text · Figure 4d
FA0.83Cs0.17Sn0.35Pb0.65I2.9Br0.1 perovskite on Cu3(HHTT)2research_0261__mat__mat_pb_sn_perovskiteThin Film · Composite Sample · CompositePerovskite prepared by antisolvent method on cMOF HTL.glass/ITO/Cu3(HHTT)2p004 / article p.3365 · Main text · Figure 2
FA0.83Cs0.17Sn0.35Pb0.65I2.9Br0.1 perovskite on NiOxresearch_0261__mat__mat_pb_sn_perovskiteThin Film · Pristine Control · CompositeControl perovskite film prepared under the same processing conditions.glass/ITO/NiOxp004 / article p.3365 · Main text · Figure 2
flexible Cu3(HHTT)2-based PSCresearch_0261__mat__mat_cu3_hhtt2Electrode · Composite Sample · CompositePET/ITO/Cu3(HHTT)2/perovskite/PCBM/BCP/Ag flexible device.PET/ITOp005 / article p.3366 · Main text · Figure 3h-i; Table S4
1 cm2 Cu3(HHTT)2-based PSCresearch_0261__mat__mat_cu3_hhtt2Electrode · Composite Sample · CompositeLarge-area Cu3(HHTT)2 HTL device.ITO · device area ca. 1 cm2p005 / article p.3366 · Main text · Figure S15; Table S5
standard Cu3(HHTT)2-based inverted PSCresearch_0261__mat__mat_cu3_hhtt2Electrode · Composite Sample · CompositeITO/Cu3(HHTT)2/perovskite/PCBM/BCP/Ag device; Cu/HHTT dipping series included.ITO · Cu3(HHTT)2 HTL ca. 6 nmp004 / article p.3365 · Main text · Figure 3a-f; Tables S1-S3
flexible NiOx-based PSC controlresearch_0261__mat__mat_niox_controlElectrode · Pristine Control · CompositePET/ITO/NiOx/perovskite/PCBM/BCP/Ag flexible control device.PET/ITOp005 / article p.3366 · Main text · Figure 3h-i; Table S4
standard NiOx-based inverted PSC controlresearch_0261__mat__mat_niox_controlElectrode · Pristine Control · CompositeITO/NiOx/perovskite/PCBM/BCP/Ag control device.ITOp004 / article p.3365 · Main text · Figure 3f; Figure S11