Spectroscopy — Unveiling high-mobility hot carriers in a two-dimensional conjugated coordination polymer

4 measurement groups · 13 results

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

UV-Vis/IR optical absorption and UPS

Infrared spectroscopy Ultraviolet photoelectron spectroscopy UV-visible and optical absorption spectroscopy

Cu3BHT film transferred onto highly doped conductive silicon · Thin Film

UV-Vis Cary 5000 and FT-IR Tensor II ATR; UPS with He I 21.11 eV source and negative 9 V substrate bias.

Temperature: room temperature
Atmosphere: ultrahigh vacuum for UPS; not stated for optical absorption
Geometry: thin film optical/electronic spectroscopy
Context: pristine Cu3BHT film
Measurement source: 2-3 · Basic characterization · Supplementary Fig. 8

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Optical absorption edge from Tauc plotMarked as a best value within this paper	~0.5 eV	—	—	Text Approximate	2 · Synthesis and characterization · Fig. 1i
UPS valence-band/Fermi-level energy separation	~0.2 eV	—	—	Text Approximate	12 · Supplementary Fig. 8 · Supplementary Fig. 8

Raman spectroscopy

large-area Cu3BHT film on fused silica · Thin Film

WITec alpha300R Raman microscope under 532 nm laser excitation; Cu3BHT film transferred onto fused silica substrate.

Temperature: room temperature
Atmosphere: not stated
Geometry: thin film on fused silica
Context: pristine Cu3BHT film
Measurement source: 2 · Basic characterization · Supplementary Fig. 2

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Absence of -SH stretch	absence of -SH stretching vibration around 310 meV	—	—	Text Approximate	6 · Supplementary Fig. 2 · Supplementary Fig. 2
Raman peak linked to scattering activation energy	8 meV	65 cm-1	—	Caption Rounded Reported	6 · Supplementary Fig. 2 · Supplementary Fig. 2

Transient absorption spectroscopy (TAS)

Transient absorption spectroscopy

large-area Cu3BHT film on fused silica · Thin Film

Helios pump-probe setup with 25 fs pulses, 1 kHz repetition; 1.77 eV photoexcitation at Nabs = 1.1 x 10^15 cm^-2 for main Figure 4a; tunable pump energies for SI.

Temperature: room temperature
Atmosphere: not stated
Geometry: thin film pump-probe spectroscopy
Context: pristine Cu3BHT film
Measurement source: 9 · Methods - TAS · Fig. 4a,c

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
High-energy spectral component assigned to band-edge carriers	2.79 eV	—	—	Text Exact Reported	6 · Spatiotemporal and energetic evolution · Fig. 4c
Photoinduced absorption blueshift during hot-carrier cooling	~60 meV within the first few picoseconds	0.06 eV	—	Text Approximate	6 · Spatiotemporal and energetic evolution · Fig. 4a; Supplementary Fig. 13
Low-energy spectral component assigned to hot carriers	2.69 eV	—	—	Text Exact Reported	6 · Spatiotemporal and energetic evolution · Fig. 4c

XPS, XANES and EXAFS

X-ray photoelectron spectroscopy X-ray absorption spectroscopy

Cu3BHT film transferred onto highly doped conductive silicon · Thin Film

XPS using AXIS Ultra-DLD with Al K-alpha source; XANES/EXAFS spectra compared to Cu, Cu2O and CuO; fitting of Cu K-edge Fourier-transformed EXAFS R-space spectrum.

Temperature: room temperature
Atmosphere: ultrahigh vacuum for XPS/UPS (<3 x 10^-9 Torr stated in SI OCR)
Geometry: thin film transferred onto conductive silicon for XPS/UPS
Context: pristine Cu3BHT film
Measurement source: 2-3 · Basic characterization · Supplementary Figs. 4-6

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Average Cu coordination number	3.22 (+/- 0.32)	—	+/- 0.32	Text Exact Reported	10 · Supplementary Fig. 6 · Supplementary Fig. 6
Cu-S bond length	2.29 A	—	—	Text Exact Reported	10 · Supplementary Fig. 6 · Supplementary Fig. 6
Cu K-edge EXAFS R-space main peak	1.87 A	—	—	Text Exact Reported	10 · Supplementary Fig. 6 · Supplementary Fig. 6
Cu oxidation-state assignment	coexistence of Cu+ and Cu2+ oxidation states; fractional Cu oxidation state	—	—	Qualitative Qualitative	8-9 · Supplementary Figs. 4-5 · Supplementary Figs. 4-5
Cu 2p1/2 XPS peak	952.9 eV	—	—	Text Exact Reported	8 · Supplementary Fig. 4 · Supplementary Fig. 4
Cu 2p3/2 XPS peak	932.9 eV	—	—	Text Exact Reported	8 · Supplementary Fig. 4 · Supplementary Fig. 4