Spectroscopy — Photoinduced Charge-Carrier Generation in Epitaxial MOF Thin Films: High Efficiency as a Result of an Indirect Electronic Band Gap?

9 measurement groups · 37 results

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

Infrared reflection absorption spectroscopy (IRRAS)

Infrared spectroscopy

Free-base porphyrin Zn-SURMOF 2 on MHDA/Au · Thin Film

Bruker VERTEX 80, 2 cm-1 resolution, ambient conditions, 80 deg incident angle, MCT detector.

Atmosphere: ambient
Geometry: Thin film on MHDA/Au
Context: Pristine MOF film compared with bulk and calculated free-base porphyrin
Measurement source: 20 / p021 · Supplementary Figures · Figure S11 / Table S2

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Free-base Zn-SURMOF 2 asymmetric COO- stretch	1590 cm-1	—	—	SI Table Exact Reported	47 · Supplementary Tables · Table S2
Free-base Zn-SURMOF 2 COO- splitting	~200 cm-1	—	—	Caption Approximate	20 / p021 · Supplementary Figures · Figure S11
Free-base Zn-SURMOF 2 symmetric COO- stretch	1407 cm-1	—	—	SI Table Exact Reported	47 · Supplementary Tables · Table S2

Infrared reflection absorption spectroscopy (IRRAS)

Infrared spectroscopy

Pd porphyrin Zn-SURMOF 2 on MHDA/Au · Thin Film

Bruker VERTEX 80, 2 cm-1 resolution, ambient conditions, 80 deg incident angle, MCT detector.

Atmosphere: ambient
Geometry: Thin film on MHDA/Au
Context: Pristine MOF film compared with bulk and calculated Pd porphyrin
Measurement source: 21 / p022 · Supplementary Figures · Figure S12 / Table S3

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Pd Zn-SURMOF 2 asymmetric COO- stretch	1605 cm-1	—	—	SI Table Exact Reported	48 · Supplementary Tables · Table S3
Pd Zn-SURMOF 2 COO- splitting	200 cm-1	—	—	Caption Rounded Reported	21 / p022 · Supplementary Figures · Figure S12
Pd Zn-SURMOF 2 symmetric COO- stretch	1405 cm-1	—	—	SI Table Exact Reported	48 · Supplementary Tables · Table S3

Time-correlated single photon counting for free-base porphyrin in ethanol.

Photoluminescence and fluorescence spectroscopy

Free-base porphyrin ethanol solution control · Unknown

Measurement source: 5 / p006; 24 / p025 · Materials and methods; Supplementary Figures · Figure S15

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Free-base porphyrin solution singlet lifetime	10 ns	—	—	Caption Exact Reported	24 / p025 · Supplementary Figures · Figure S15

Time-resolved photoluminescence and transient absorption

Photoluminescence and fluorescence spectroscopy Transient absorption spectroscopy

Free-base porphyrin Zn-SURMOF 2 on quartz glass · Thin Film

Streak camera PL after approximately 400 nm excitation; TAS at 400 nm, 15 uJ cm-2, 700-750 nm window.

Atmosphere: ambient atmosphere for TAS
Geometry: Thin films on quartz glass
Context: Pristine MOF films compared with molecular solution
Measurement source: 25-27 / p026-p028 · Supplementary Figures · Figures S16-S17

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Free-base Zn-SURMOF 2 singlet exciton lifetime	approximately 100 ps	—	—	Caption Approximate	25 / p026 · Supplementary Figures · Figure S16
Fast decay inverse rate component	around 8 ps	—	—	Caption Approximate	26-27 / p027-p028 · Supplementary Figures · Figure S17
Long-lived population persistence	does not decay on the 4 ns timescale	—	—	Caption Qualitative	27 / p028 · Supplementary Figures · Figure S17

Streak-camera time-resolved photoluminescence and transient absorption spectroscopy.

Photoluminescence and fluorescence spectroscopy Transient absorption spectroscopy

Pd porphyrin Zn-SURMOF 2 on quartz glass · Thin Film

Measurement source: 25-27 / p026-p028 · Supplementary Figures · Figures S16 and S17

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Pd Zn-SURMOF 2 singlet exciton lifetime upper boundMarked as a best value within this paper	< 15 ps	—	instrument response limited	Caption Approximate	25 / p026 · Supplementary Figures · Figure S16

UV-Vis spectroscopy of 20 uM free-base porphyrin in ethanol.

UV-visible and optical absorption spectroscopy

Free-base porphyrin ethanol solution control · Unknown

Measurement source: 18 / p019; 46 / p047 · Supplementary Figures and Tables · Figure S9; Table S1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Free-base porphyrin solution Q band 1	512 nm	—	—	Table Exact Reported	46 / p047 · Supplementary Tables · Table S1
Free-base porphyrin solution Q band 2	547 nm	—	—	Table Exact Reported	46 / p047 · Supplementary Tables · Table S1
Free-base porphyrin solution Q band 3	590 nm	—	—	Table Exact Reported	46 / p047 · Supplementary Tables · Table S1
Free-base porphyrin solution Q band 4	646 nm	—	—	Table Exact Reported	46 / p047 · Supplementary Tables · Table S1
Free-base porphyrin solution Soret band	415 nm	—	—	Table Exact Reported	46 / p047 · Supplementary Tables · Table S1

UV-Vis spectroscopy of 20 uM Pd porphyrin in ethanol.

UV-visible and optical absorption spectroscopy

Pd porphyrin ethanol solution control · Unknown

Measurement source: 19 / p020; 46 / p047 · Supplementary Figures and Tables · Figure S10; Table S1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Pd porphyrin solution Q band 1	522 nm	—	—	Table Exact Reported	46 / p047 · Supplementary Tables · Table S1
Pd porphyrin solution Q band 2	554 nm	—	—	Table Exact Reported	46 / p047 · Supplementary Tables · Table S1
Pd porphyrin solution Soret band	414 nm	—	—	Table Exact Reported	46 / p047 · Supplementary Tables · Table S1

UV-Vis transmission spectroscopy

UV-visible and optical absorption spectroscopy

Free-base porphyrin Zn-SURMOF 2 on quartz glass · Thin Film

Agilent Cary 5000 UV-Vis-NIR; films grown on quartz glass; solution controls at 20 uM in ethanol.

Geometry: Thin film on quartz glass
Context: Pristine MOF films with molecular solution controls
Measurement source: 46 · Supplementary Tables · Table S1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Free-base Zn-SURMOF 2 thin-film Q band 1	526 nm	—	—	Table Exact Reported	46 / p047 · Supplementary Tables · Table S1
Free-base Zn-SURMOF 2 thin-film Q band 2	561 nm	—	—	Table Exact Reported	46 / p047 · Supplementary Tables · Table S1
Free-base Zn-SURMOF 2 thin-film Q band 3	597 nm	—	—	Table Exact Reported	46 / p047 · Supplementary Tables · Table S1
Free-base Zn-SURMOF 2 thin-film Q band 4	654 nm	—	—	Table Exact Reported	46 / p047 · Supplementary Tables · Table S1
Free-base Zn-SURMOF 2 thin-film Soret band at 380 nm	380 nm	—	—	Table Exact Reported	46 / p047 · Supplementary Tables · Table S1
Free-base Zn-SURMOF 2 thin-film Soret band at 438 nm	438 nm	—	—	Table Exact Reported	46 / p047 · Supplementary Tables · Table S1
Free-base Zn-SURMOF 2 Q bands	526, 561, 597, 654 nm	—	—	SI Table Exact Reported	46 · Supplementary Tables · Table S1
Free-base Zn-SURMOF 2 Soret band 1	380 nm	—	—	SI Table Exact Reported	46 · Supplementary Tables · Table S1
Free-base Zn-SURMOF 2 Soret band 2	438 nm	—	—	SI Table Exact Reported	46 · Supplementary Tables · Table S1
Pd Zn-SURMOF 2 thin-film Q band 1	533 nm	—	—	Table Exact Reported	46 / p047 · Supplementary Tables · Table S1
Pd Zn-SURMOF 2 thin-film Q band 2	565 nm	—	—	Table Exact Reported	46 / p047 · Supplementary Tables · Table S1
Pd Zn-SURMOF 2 thin-film Soret band at 381 nm	381 nm	—	—	Table Exact Reported	46 / p047 · Supplementary Tables · Table S1
Pd Zn-SURMOF 2 thin-film Soret band at 439 nm	439 nm	—	—	Table Exact Reported	46 / p047 · Supplementary Tables · Table S1
Pd Zn-SURMOF 2 Q bands	533, 565 nm	—	—	SI Table Exact Reported	46 · Supplementary Tables · Table S1
Pd Zn-SURMOF 2 split Soret bands	381, 439 nm	—	—	SI Table Exact Reported	46 · Supplementary Tables · Table S1

X-ray photoelectron spectroscopy, N1s

X-ray photoelectron spectroscopy

Free-base porphyrin Zn-SURMOF 2 on MHDA/Au · Thin Film

UHV XPS with non-monochromatic Al Kalpha source; FWHM fixed at 1.7 eV.

Atmosphere: ultra-high vacuum, base pressure 2 x 10^-10 mbar
Geometry: Thin film on MHDA/Au
Context: Pristine MOF film
Measurement source: 17 / p018 · Supplementary Figures · Figure S8

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Free-base N1s =N- binding energy	398.2 eV	—	FWHM fixed at 1.7 eV	Caption Rounded Reported	17 / p018 · Supplementary Figures · Figure S8
Free-base N1s N-H binding energy	399.9 eV	—	FWHM fixed at 1.7 eV	Caption Rounded Reported	17 / p018 · Supplementary Figures · Figure S8
Pd metallonitrogen N1s binding energy	398.6 eV	—	FWHM fixed at 1.7 eV	Caption Rounded Reported	17 / p018 · Supplementary Figures · Figure S8