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

6 measurement groups · 45 results

Reported values remain attached to the sample, method, conditions, extraction quality and source location that produced them.

FTIR spectroscopy

Infrared spectroscopy

Li-TFSI@NH2-MIL-101 powder · Powder

KBr disc FTIR of Li-TFSI, pristine NH2-MIL-101 and Li-TFSI@NH2-MIL-101

Measurement source: 2 · 2.1. Preparation and characterization · Fig. 2c

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
N-H stretch in Li-TFSI@NH2-MIL-101, higher wavenumber	3493 cm-1 (read from inset label)	—	—	Figure Axis Rounded Reported	3 · 2.1. Preparation and characterization · Fig. 2c inset
N-H stretch in Li-TFSI@NH2-MIL-101, lower wavenumber	3386 cm-1 (read from inset label)	—	—	Figure Axis Rounded Reported	3 · 2.1. Preparation and characterization · Fig. 2c inset
O=S=O antisymmetric stretch	1054 cm-1	—	—	Text Exact Reported	2 · 2.1. Preparation and characterization · Fig. 2c
O=S=O symmetric stretch	1195 cm-1	—	—	Text Exact Reported	2 · 2.1. Preparation and characterization · Fig. 2c

FTIR with PbI2 binding test

Infrared spectroscopy

Li-TFSI@NH2-MIL-101 powder · Powder

pure Li-TFSI@NH2-MIL-101 versus Li-TFSI@NH2-MIL-101 with PbI2

Measurement source: 6 · 2.3. Device performance · Fig. 5a

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
N-H stretch NH2-MIL-101 with PbI2	3350 cm-1	—	—	Figure Axis Rounded Reported	9 · Supporting Information · Fig. S15
N-H stretch pure NH2-MIL-101 before PbI2	3362 cm-1	—	—	Figure Axis Rounded Reported	9 · Supporting Information · Fig. S15
N-H stretch after PbI2, high band	3461 cm-1	—	—	Text Exact Reported	6 · 2.3. Device performance · Fig. 5a
N-H stretch after PbI2, low band	3356 cm-1	—	—	Text Exact Reported	6 · 2.3. Device performance · Fig. 5a
N-H stretch before PbI2, high band	3477 cm-1	—	—	Text Exact Reported	6 · 2.3. Device performance · Fig. 5a
N-H stretch before PbI2, low band	3371 cm-1	—	—	Text Exact Reported	6 · 2.3. Device performance · Fig. 5a

Pb 4f XPS

X-ray photoelectron spectroscopy

Li-TFSI@NH2-MIL-101 doped HTL film, 15 mg mL-1 · Thin Film

perovskite films/HTL with and without Li-TFSI@NH2-MIL-101

Measurement source: 6 · 2.3. Device performance · Fig. 5b

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Pb 4f5/2 peak with conventional Li-TFSI	142.8 eV	—	—	Text Exact Reported	6 · 2.3. Device performance · Fig. 5b
Pb 4f5/2 peak with Li-TFSI@NH2-MIL-101	143.1 eV	—	—	Text Exact Reported	6 · 2.3. Device performance · Fig. 5b
Pb 4f7/2 peak with conventional Li-TFSI	138.0 eV	—	—	Text Exact Reported	6 · 2.3. Device performance · Fig. 5b
Pb 4f7/2 peak with Li-TFSI@NH2-MIL-101	138.2 eV	—	—	Text Exact Reported	6 · 2.3. Device performance · Fig. 5b

steady-state PL and TRPL

Photoluminescence and fluorescence spectroscopy

Li-TFSI@NH2-MIL-101 doped HTL film, 15 mg mL-1 · Thin Film

perovskite film capped with Li-TFSI or Li-TFSI@NH2-MIL-101 HTL

Measurement source: 6 · 2.3. Device performance · Fig. 5c-d; Table S3

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
PL peak, perovskite/HTL(Li-TFSI)	787 nm	—	—	Text Exact Reported	6 · 2.3. Device performance · Fig. 5c
PL peak, perovskite/HTL(Li-TFSI@NH2-MIL-101)	783 nm	—	—	Text Exact Reported	6 · 2.3. Device performance · Fig. 5c
TRPL a1, Perovskite/HTM(Li-TFSI)	80.22 %	—	—	SI Table Exact Reported	12 · Supporting Information · Table S3
TRPL a2, Perovskite/HTM(Li-TFSI)	19.78 %	—	—	SI Table Exact Reported	12 · Supporting Information · Table S3
TRPL tau2, Perovskite/HTM(Li-TFSI)	5.05 ns	—	—	SI Table Exact Reported	12 · Supporting Information · Table S3
TRPL taverage, Perovskite/HTM(Li-TFSI)	3.577 ns	—	—	SI Table Exact Reported	12 · Supporting Information · Table S3
TRPL a1, Perovskite	45.15 %	—	—	SI Table Exact Reported	12 · Supporting Information · Table S3
TRPL a2, Perovskite	54.85 %	—	—	SI Table Exact Reported	12 · Supporting Information · Table S3
TRPL tau1, Perovskite	0.53 ns	—	—	SI Table Exact Reported	12 · Supporting Information · Table S3
TRPL tau2, Perovskite	13.25 ns	—	—	SI Table Exact Reported	12 · Supporting Information · Table S3
TRPL taverage, Perovskite	12.84 ns	—	—	SI Table Exact Reported	12 · Supporting Information · Table S3
TRPL a1, Perovskite/HTM(Li-TFSI@NH2-MIL-101)	80.94 %	—	—	SI Table Exact Reported	12 · Supporting Information · Table S3
TRPL a2, Perovskite/HTM(Li-TFSI@NH2-MIL-101)	19.02 %	—	—	SI Table Exact Reported	12 · Supporting Information · Table S3
TRPL tau2, Perovskite/HTM(Li-TFSI@NH2-MIL-101)	6.14 ns	—	—	SI Table Exact Reported	12 · Supporting Information · Table S3
TRPL taverage, Perovskite/HTM(Li-TFSI@NH2-MIL-101)	4.615 ns	—	—	SI Table Exact Reported	12 · Supporting Information · Table S3
TRPL tau1, Perovskite/HTM(Li-TFSI)	0.62 ns	—	—	SI Table Exact Reported	12 · Supporting Information · Table S3
TRPL tau1, Perovskite/HTM(Li-TFSI@NH2-MIL-101)	0.54 ns	—	—	SI Table Exact Reported	12 · Supporting Information · Table S3

Ultraviolet photoelectron spectroscopy (UPS)

Ultraviolet photoelectron spectroscopy

Li-TFSI@NH2-MIL-101 doped HTL film, 20 mg mL-1 · Thin Film

HTL valence-band alignment in devices

Measurement source: 4 · 2.3. Device performance · Fig. S9; Fig. 4b

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
CBM of perovskite	-4.1 eV	—	—	Text Exact Reported	4 · 2.3. Device performance · Fig. S10; Fig. 4b
perovskite band gap	1.6 eV	—	—	Text Exact Reported	4 · 2.3. Device performance · Fig. S10
UPS secondary electron cut-off, Li-TFSI HTL	16.86 eV	—	—	Figure Axis Rounded Reported	6 · Supporting Information · Fig. S9
UPS valence onset, Li-TFSI HTL	0.78 eV	—	—	Figure Axis Rounded Reported	6 · Supporting Information · Fig. S9
UPS secondary electron cut-off, perovskite	16.68 eV	—	—	Figure Axis Rounded Reported	6 · Supporting Information · Fig. S9
UPS valence onset, perovskite	1.16 eV	—	—	Figure Axis Rounded Reported	6 · Supporting Information · Fig. S9
UPS secondary electron cut-off, Li-TFSI@NH2-MIL-101 HTL	16.77 eV	—	—	Figure Axis Rounded Reported	6 · Supporting Information · Fig. S9
UPS valence onset, Li-TFSI@NH2-MIL-101 HTL	0.75 eV	—	—	Figure Axis Rounded Reported	6 · Supporting Information · Fig. S9
VBM of conventional Li-TFSI doped HTL	-5.14 eV	—	—	Text Exact Reported	4 · 2.3. Device performance · Fig. S9
VBM of perovskite	-5.70 eV	—	—	Text Exact Reported	4 · 2.3. Device performance · Fig. S9
VBM of Li-TFSI@NH2-MIL-101 doped HTL	-5.20 eV	—	—	Text Exact Reported	4 · 2.3. Device performance · Fig. S9

X-ray photoelectron spectroscopy (XPS)

X-ray photoelectron spectroscopy

Li-TFSI@NH2-MIL-101 powder · Powder

survey and N 1s/C-N comparison of pristine and guest-loaded MOF

Measurement source: 2 · 2.1. Preparation and characterization · Fig. 2a

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
C-N peak Li-TFSI@NH2-MIL-101	399.44 eV	—	—	Text Exact Reported	2 · 2.1. Preparation and characterization · Fig. 2a
C-N peak pristine NH2-MIL-101	399.06 eV	—	—	Text Exact Reported	2 · 2.1. Preparation and characterization · Fig. 2a
Li-TFSI indicators in XPS	S 2p and F 1s peaks appeared	—	—	Qualitative Qualitative	2 · 2.1. Preparation and characterization · Fig. 2a