Primary studyCore evidenceTransport Physics

Li-TFSI endohedral Metal-Organic frameworks in stable perovskite solar cells for Anti-Deliquescent and restricting ion migration

Wang J., Zhang J., Yang Y. et al. · Chemical Engineering Journal · 2022 · 132481

8materials
19samples
7synthesis routes
25measurements
157results
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

Li-TFSI@NH2-MIL-101 doped PSCs show much improved ambient stability, retaining above 85% PCE after 3600 h.

Caveat: Unencapsulated ambient storage conditions are reported, but detailed replicate statistics for long-term ageing are not tabulated.

7 · 2.4. Moisture stability and long-term stability · Fig. 6e; Fig. S21 · Linked to 5 structured results

Application RelevanceSupport assessment: Medium

Li-TFSI@NH2-MIL-101 suppresses Pb ion migration in aged PSCs and reduces hysteresis.

Caveat: Ion migration evidence is qualitative from SEM/EDS line scans; numerical diffusion coefficients are not reported.

7 · 2.4. Moisture stability and long-term stability · Fig. S19 · Linked to 3 structured results

Composite RoleSupport assessment: High

The MOF host increases HTL hydrophobicity and protects Li-TFSI/perovskite from moisture attack.

Caveat: Mechanistic attribution to benzene rings is interpretive; contact angle and ageing data support the direction.

4 · 2.2. The effect ... on HTL · Fig. 3a-b · Linked to 4 structured results

Structure Property LinkSupport assessment: High

Li-TFSI is encapsulated in NH2-MIL-101 cages rather than deposited on the external surface.

Caveat: Direct pore-location proof is inferred from porosity decrease, retained PXRD and uniform elemental mapping rather than single-crystal localisation.

3 · 2.1. Preparation and characterization · Fig. 2d; Fig. S2 · Linked to 4 structured results

Transport MechanismSupport assessment: Medium

Amino groups in Li-TFSI@NH2-MIL-101 interact with uncoordinated Pb2+ at the perovskite/HTL interface, lowering trap density and recombination.

Caveat: The Pb interaction is inferred from FTIR/XPS shifts and device measurements; EIS fit parameters are discussed qualitatively, not tabulated numerically.

5 · 2.3. Device performance · Fig. 5 · Linked to 6 structured results

Transport MechanismSupport assessment: High

Li-TFSI@NH2-MIL-101 maintains HTL conductivity and hole mobility close to conventional Li-TFSI doping despite reducing the free Li-TFSI dose.

Caveat: The optimum photovoltaic concentration is assigned to 15 mg mL-1 by SI Table S1; one main-text sentence appears to misprint it as 20 mg mL-1.

4 · 2.3. Device performance · Fig. S7; Fig. S8; Fig. 4c · Linked to 6 structured results

Material identities

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

MaterialCompositionStructure contextSource
Li-TFSI@NH2-MIL-101Browse family: NH₂–MIL-101(Fe)Li-TFSI guest-loaded NH2-MIL-101(Fe)Fe nodes of NH2-MIL-101(Fe) · 2-aminoterephthalate linkers with amino groups3D · CompositeLi-TFSI molecules encapsulated in NH2-MIL-101 cages without changing PXRD pattern2 · 2.1. Preparation and characterization · Fig. 1a-d; Fig. 2
Physical mixture Li-TFSI + NH2-MIL-101 doped Spiro-OMeTAD HTLSpiro-OMeTAD + tBP + Li-TFSI + NH2-MIL-101 physical mixtureFe nodes in NH2-MIL-101 particles · 2-aminoterephthalate in NH2-MIL-101 particles3D · Compositephysical-mixture control without endohedral Li-TFSI loading7 · Experimental section · none
Li-TFSI@NH2-MIL-101 doped Spiro-OMeTAD HTLSpiro-OMeTAD + tBP + Li-TFSI@NH2-MIL-101Fe nodes in dispersed NH2-MIL-101 guest-loaded particles · 2-aminoterephthalate in dispersed MOF component3D · Compositecomposite HTL containing octahedral Li-TFSI@NH2-MIL-101 particles4 · 2.2. The effect ... on HTL · Fig. 3
Li-TFSI doped Spiro-OMeTAD HTLSpiro-OMeTAD + Li-TFSI + tBPnone · not applicable0D · Compositeconventional doped organic HTL4 · 2.2 and Experimental section · Fig. 3a; Fig. 4c
NH2-MIL-101(Fe)Browse family: NH₂–MIL-101(Fe)Fe-based amino-functionalised MIL-101 frameworkFe nodes from FeCl3.6H2O · 2-aminoterephthalic acid3D · Pristinemesoporous MIL-101-type framework with two cage sizes; octahedral nanocrystals2 · 2.1. Preparation and characterization · Fig. 1 and Experimental section
Perovskite solar cell stack with doped HTLFTO/C-TiO2/PC61BM/Cs0.05FA0.81MA0.14PbI2.55Br0.45/HTL/Aunot applicable · not applicableunknown · Compositeplanar n-i-p perovskite solar cell device stack7 · Experimental section · Device fabrication
Small-amount Li-TFSI doped Spiro-OMeTAD HTLSpiro-OMeTAD + tBP + 2.01 mg mL-1 Li-TFSInone · not applicable0D · Compositelow-Li-TFSI HTL control7 · Experimental section · none
Spiro-OMeTAD hole transport material2,2',7,7'-tetrakis(N,N-di-p-methoxyphenylamine)-9,9'-spirobifluorenenone · not applicable0D · Model Systemmolecular organic hole transport material1 · Introduction · none

Sample register

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

Show 19 sample records
SampleForm and roleProcessing and geometrySource
Li-TFSI@NH2-MIL-101 powderresearch_0399__mat__mat_litfsi_nh2_mil101Powder · Target Sample · Guest Loadedpost-synthetic Li-TFSI infiltration, centrifuged, washed and dried7 · Experimental section · Synthesis of NH2-MIL-101 and Li-TFSI@NH2-MIL-101
Li-TFSI@NH2-MIL-101 doped HTL film, 10 mg mL-1research_0399__mat__mat_litfsi_nh2_mil101_spiro_htlThin Film · Target Sample · CompositeSpiro-OMeTAD doped with 10 mg mL-1 Li-TFSI@NH2-MIL-101HTL/device substrates · ~180 nm for conductivity geometry when used in conductivity measurement4 · 2.3. Device performance · Fig. S7; Table S1
Li-TFSI@NH2-MIL-101 doped HTL film, 15 mg mL-1research_0399__mat__mat_litfsi_nh2_mil101_spiro_htlThin Film · Target Sample · CompositeSpiro-OMeTAD with 15 mg Li-TFSI@NH2-MIL-101 per 1 mL chlorobenzene plus tBPHTL/device substrates · ~180 nm for conductivity geometry when used in conductivity measurement7 · Experimental section · Device fabrication
Li-TFSI@NH2-MIL-101 doped HTL film, 20 mg mL-1research_0399__mat__mat_litfsi_nh2_mil101_spiro_htlThin Film · Target Sample · CompositeSpiro-OMeTAD doped with 20 mg mL-1 Li-TFSI@NH2-MIL-101HTL/device substrates · ~180 nm for conductivity geometry4 · 2.3. Device performance · Fig. 4c; Fig. S7b/S8
Li-TFSI@NH2-MIL-101 doped HTL film, 5 mg mL-1research_0399__mat__mat_litfsi_nh2_mil101_spiro_htlThin Film · Target Sample · CompositeSpiro-OMeTAD doped with 5 mg mL-1 Li-TFSI@NH2-MIL-101HTL/device substrates · ~180 nm for conductivity geometry when used in conductivity measurement4 · 2.3. Device performance · Fig. S7; Table S1
Conventional Li-TFSI doped HTL filmresearch_0399__mat__mat_litfsi_spiro_htlThin Film · Pristine Control · DopedSpiro-OMeTAD with 9.1 mg mL-1 Li-TFSI and tBP, spin-coatedHTL/device substrates · ~180 nm for conductivity geometry4 · 2.2. The effect ... on HTL · Fig. 3a
Pristine NH2-MIL-101 nanocrystalsresearch_0399__mat__mat_nh2_mil101_fePowder · Pristine Control · Pristine Frameworkhydrothermally synthesised, washed and activated at 70 C for 24 h7 · Experimental section · Synthesis of NH2-MIL-101
Li-TFSI + NH2-MIL-101 physical-mixture HTL filmresearch_0399__mat__mat_litfsi_nh2_mil101_physical_mix_htlThin Film · Composite Sample · CompositeSpiro-OMeTAD with 2.01 mg Li-TFSI and 12.99 mg NH2-MIL-101 per 1 mL chlorobenzene plus tBPHTL/device substrates7 · Experimental section · Device fabrication
PSC with conventional Li-TFSI doped HTLresearch_0399__mat__mat_psc_stackElectrode · Pristine Control · Compositeunencapsulated planar n-i-p PSC with conventional Li-TFSI doped HTLFTO/C-TiO2/PC61BM/perovskite/HTL/Au · Au electrode 80 nm; active area 0.06 cm27 · Experimental section · Device fabrication
PSC with Li-TFSI@NH2-MIL-101 doped HTLresearch_0399__mat__mat_psc_stackElectrode · Target Sample · Compositeunencapsulated planar n-i-p PSC with Li-TFSI@NH2-MIL-101 doped HTLFTO/C-TiO2/PC61BM/perovskite/HTL/Au · Au electrode 80 nm; active area 0.06 cm24 · 2.3. Device performance · Fig. 4
PSC with Li-TFSI@NH2-MIL-101 doped HTL, 10 mg mL-1research_0399__mat__mat_psc_stackElectrode · Target Sample · CompositePSC with Li-TFSI@NH2-MIL-101 doped HTL, 10 mg mL-1FTO/C-TiO2/PC61BM/perovskite/HTL/Au · Au electrode 80 nm; active area 0.06 cm212 · Supporting Information · Table S1
PSC with Li-TFSI@NH2-MIL-101 doped HTL, 15 mg mL-1research_0399__mat__mat_psc_stackElectrode · Target Sample · CompositePSC with Li-TFSI@NH2-MIL-101 doped HTL, 15 mg mL-1FTO/C-TiO2/PC61BM/perovskite/HTL/Au · Au electrode 80 nm; active area 0.06 cm212 · Supporting Information · Table S1
PSC with Li-TFSI@NH2-MIL-101 doped HTL, 20 mg mL-1research_0399__mat__mat_psc_stackElectrode · Target Sample · CompositePSC with Li-TFSI@NH2-MIL-101 doped HTL, 20 mg mL-1FTO/C-TiO2/PC61BM/perovskite/HTL/Au · Au electrode 80 nm; active area 0.06 cm212 · Supporting Information · Table S1
PSC with Li-TFSI@NH2-MIL-101 doped HTL, 5 mg mL-1research_0399__mat__mat_psc_stackElectrode · Target Sample · CompositePSC with Li-TFSI@NH2-MIL-101 doped HTL, 5 mg mL-1FTO/C-TiO2/PC61BM/perovskite/HTL/Au · Au electrode 80 nm; active area 0.06 cm212 · Supporting Information · Table S1
PSC with Li-TFSI + NH2-MIL-101 physical-mixture HTLresearch_0399__mat__mat_psc_stackElectrode · Composite Sample · CompositePSC using physical-mixture Li-TFSI/NH2-MIL-101 HTLFTO/C-TiO2/PC61BM/perovskite/HTL/Au · Au electrode 80 nm; active area 0.06 cm24 · 2.3. Device performance · Fig. S12/Table S1
PSC with pure Spiro-OMeTAD HTLresearch_0399__mat__mat_psc_stackElectrode · Pristine Control · CompositePSC with pure Spiro-OMeTAD HTLFTO/C-TiO2/PC61BM/perovskite/HTL/Au · Au electrode 80 nm; active area 0.06 cm212 · Supporting Information · Table S1
PSC with small-amount Li-TFSI doped HTLresearch_0399__mat__mat_psc_stackElectrode · Pristine Control · CompositePSC using 2.01 mg mL-1 Li-TFSI doped HTLFTO/C-TiO2/PC61BM/perovskite/HTL/Au · Au electrode 80 nm; active area 0.06 cm24 · 2.3. Device performance · Fig. S12/Table S1
Small-amount Li-TFSI doped HTL filmresearch_0399__mat__mat_small_litfsi_spiro_htlThin Film · Pristine Control · DopedSpiro-OMeTAD with 2.01 mg Li-TFSI per 1 mL chlorobenzene plus tBPHTL/device substrates7 · Experimental section · Device fabrication
Pure Spiro-OMeTAD HTL filmresearch_0399__mat__mat_spiro_plainThin Film · Pristine Control · Modelspin-coated HTL without Li-TFSIvarious transport/device substrates · ~180 nm for conductivity geometry4 · 2.3. Device performance · Fig. S7b/S8