Primary studyCore evidenceTransport Physics

A Copper Coordination Polymer with Matching Energy Level for Modifying Hole Transport Layers to Improve the Performance of Perovskite Solar Cells

Qiu L., Zheng X., Yang Y. et al. · ChemSusChem · 2019 · 2763-2772

4materials
10samples
3synthesis routes
28measurements
88results
6claims 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

Optimised Cu-bix doping improves PSC efficiency from 16.52% to 18.47%, mainly through increased fill factor and slightly higher Voc/Jsc.

Caveat: Cu-bix concentration optimisation from SI Figure S9 is graphical; exact cell-level data are not tabulated.

p006 / journal page 2768 · Results and Discussion · Figure 5c · Linked to 10 structured results

Application RelevanceSupport assessment: High

Cu-bix improves HTL hydrophobicity and ambient device stability, with Cu-bix-doped devices retaining 85% of initial PCE after 720 h while pristine devices lose 35%.

Caveat: The devices were unencapsulated and tested in dark ambient conditions; long-term operational stability under illumination is not reported in the main text.

p007-p008 / journal pages 2769-2770 · Results and Discussion · Figure 7 · Linked to 4 structured results

Composite RoleSupport assessment: Medium

Cu-bix acts as a dispersant/interaction partner for LiTFSI or lithium salt complexes in the HTL, improving additive dispersion and promoting more uniform Spiro-OMeTAD oxidation.

Caveat: The proposed reaction scheme is mechanistic interpretation from spectroscopic shifts and morphology, not direct isolation of intermediates.

p004-p005 / journal pages 2766-2767 · Results and Discussion; Conclusions · Figures 3-4 · Linked to 4 structured results

Phase AssignmentSupport assessment: High

Cu-bix is a one-dimensional Cu(I)-iodide coordination polymer, and the as-prepared product is phase-pure relative to the simulated PXRD pattern.

Caveat: Full CIF/crystallographic tables are not provided in the assigned documents.

p002 / journal page 2764 · Results and Discussion · Figures 1-2 · Linked to 4 structured results

Structure Property LinkSupport assessment: Medium

The Cu-bix HOMO level lies between the perovskite and Spiro-OMeTAD levels, which the authors argue facilitates hole transfer and reduces interfacial hole accumulation.

Caveat: Energy alignment is measured/calculated, but the causal link to device performance is inferred from device and transient data.

p005-p006 / journal pages 2767-2768 · Results and Discussion · Figure 5a · Linked to 4 structured results

Transport MechanismSupport assessment: High

Cu-bix-doped HTLs show higher hole mobility and faster transient photocurrent decay, consistent with improved hole extraction and transport.

Caveat: SCLC mobility values are text-reported; SI Figure S3 supplies graphical dark J-V support but no tabulated fit parameters.

p003 and p007 / journal pages 2765 and 2769 · Results and Discussion · Figures S3 and 6c referenced · Linked to 7 structured results

Material identities

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

MaterialCompositionStructure contextSource
Cu-bix[Cu4I4(mbix)]n; mbix = 1,3-bis(imidazol-1-yl-methyl)benzeneCu(I)-iodide clusters/chains; each copper atom coordinates three iodide atoms and one ligand nitrogen atom · 1,3-bis(imidazol-1-yl-methyl)benzene (bix/mbix)1D · PristineOne-dimensional copper(I) iodide coordination polymer; adjacent chains form a three-dimensional supramolecular structure through pi-pi interactions between imidazole rings.p002 / journal page 2764 · Introduction; Results and Discussion · Figure 1
Cu-bix-doped Spiro-OMeTAD HTLSpiro-OMeTAD + LiTFSI + TBP + Cu-bixCu(I) centres from Cu-bix additive within the organic HTL composite · 1,3-bis(imidazol-1-yl-methyl)benzene in Cu-bix; Spiro-OMeTAD matrixunknown · CompositeComposite hole transport layer containing dispersed Cu-bix additive; moderate Cu-bix gives smooth void-free films, excess Cu-bix causes aggregation.p004 / journal page 2766 · Results and Discussion · Figure 4
reference Spiro-OMeTAD HTLSpiro-OMeTAD + LiTFSI + TBPnot applicable · not applicableunknown · CompositeReference hole transport layer made from Spiro-OMeTAD solution containing LiTFSI and TBP.p004 / journal page 2766 · Results and Discussion · Figure 4
planar perovskite solar cell stackFTO/TiO2/Cs0.05FA0.81MA0.14PbI2.55Br0.45/HTL/AuCu(I) only in Cu-bix-doped HTL variant; Pb-based perovskite absorber · Cu-bix ligand in doped HTL; organic A-site cations FA and MA in perovskiteunknown · CompositePlanar n-i-p PSC architecture used to compare reference and Cu-bix-doped HTLs.p005 / journal page 2767 · Results and Discussion · Figure 5

Sample register

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

Show 10 sample records
SampleForm and roleProcessing and geometrySource
as-prepared Cu-bix pale-yellow crystalsresearch_0651__mat__mat_cu_bixSingle Crystal · Target Sample · Pristine Frameworkpale-yellow crystals from sealed autoclave synthesis; used for SCXRD, PXRD, optical spectroscopy and CVp008 / journal page 2770 · Experimental Section - Preparation of Cu-bix
optimised Cu-bix-doped HTLresearch_0651__mat__mat_cu_bix_doped_htlThin Film · Composite Sample · CompositeSpiro-OMeTAD/LiTFSI/TBP HTL modified with dispersed Cu-bix additive; optimised Cu 3-4 concentration is 0.3 mg mL-1 Cu-bix in chlorobenzene.used on PSC substrate or hole-only ITO/PEDOT:PSS stack depending on measurement · approximately 220 nm in PSC cross-sectionp006 / journal page 2768 · Results and Discussion · Figure 5b
Cu-bix-doped HTL concentration seriesresearch_0651__mat__mat_cu_bix_doped_htlThin Film · Composite Sample · CompositeLiTFSI/TBP-doped Spiro-OMeTAD films with Cu 1-4, Cu 2-4, Cu 3-4 and Cu 4-4 Cu-bix concentrations of 0.1, 0.2, 0.3 and 0.4 mg mL-1.film substrate not specified for SI Figure S2 I-V seriesp008 / journal page 2770 · Experimental Section - Device fabrication
Cu-bix/LiTFSI mixtureresearch_0651__mat__mat_cu_bix_doped_htlPowder · Model System · CompositeCu-bix mixed with LiTFSI for FTIR interaction analysisKBr pellet for FTIRp004 / journal page 2766 · Results and Discussion · Figure 3d
optimised Cu-bix-doped PSCresearch_0651__mat__mat_psc_stackElectrode · Composite Sample · CompositeFTO/TiO2/perovskite/Cu-bix-doped Spiro-OMeTAD HTL/Au; optimised Cu 3-4 concentration is 0.3 mg mL-1 Cu-bix.FTO-coated glass · perovskite approximately 550 nm; Cu-bix-doped HTL approximately 220 nm; Au 60-80 nmp006 / journal page 2768 · Results and Discussion · Figure 5b,c
Cu-bix-doped PSC concentration seriesresearch_0651__mat__mat_psc_stackElectrode · Composite Sample · CompositePSC devices fabricated with HTLs using Cu 1-4, Cu 2-4, Cu 3-4 and Cu 4-4 Cu-bix concentrations.FTO-coated glassp006 / SI page 5 · Supporting Information · Figure S9
excessive Cu-bix-doped HTLresearch_0651__mat__mat_cu_bix_doped_htlThin Film · Composite Sample · CompositeHTL prepared with excess Cu-bix; used as morphology over-doping controlp005 / journal page 2767 · Results and Discussion · Figure 4c,f,i
glass/perovskite/HTL model filmsresearch_0651__mat__mat_psc_stackThin Film · Model System · Compositeglass/perovskite, glass/perovskite/reference HTL, and glass/perovskite/Cu-bix-doped HTL films for PL/TRPLglassp007 / journal page 2769 · Results and Discussion · Figure 6a,b
pristine reference HTLresearch_0651__mat__mat_pristine_htlThin Film · Pristine Control · Compositespin-coated Spiro-OMeTAD with LiTFSI and TBP; no Cu-bix additiveused on PSC substrate or hole-only ITO/PEDOT:PSS stack depending on measurementp004 / journal page 2766 · Results and Discussion · Figure 4
reference pristine PSCresearch_0651__mat__mat_psc_stackElectrode · Pristine Control · CompositeFTO/TiO2/perovskite/reference HTL/Au; reference devices fabricated using LiTFSI and TBP co-doped Spiro-OMeTADFTO-coated glass · 60-80 nm Au; perovskite approximately 550 nm in corresponding doped stackp006 / journal page 2768 · Results and Discussion · Figure 5c