Spectroscopy — Dirac-cone induced metallic conductivity in Cu3(HHTP)2: high-quality MOF thin films fabricated via ML-driven robotic synthesis

Measurement evidence

Spectroscopy

Dirac-cone induced metallic conductivity in Cu3(HHTP)2: high-quality MOF thin films fabricated via ML-driven robotic synthesis · Scheiger C., Pohls J.F., Mostaghimi M. et al. · Materials Horizons · 2025 · 6189-6194

2 measurement groups · 7 results

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

He I ultraviolet photoelectron spectroscopy

Ultraviolet photoelectron spectroscopy

Optimised Cu3(HHTP)2 SURMOF thin film · Thin Film

Scienta R4000 analyser, pass energy 2 eV, 295 K; sample/analyser and lamp angles ca. 90 deg and 45 deg

Temperature: 295
Geometry: Cu3(HHTP)2 SURMOF on SiO2/Si
Context: pristine framework thin film
Measurement source: p012-p013 / SI Fig. S8 · Figure captions · Figure S8

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
HOMO feature of benzene/phenol rings	~3.85 eV	—	~	Figure Axis Approximate	p012 / SI Fig. S8 · UPS figure · Figure S8b
No UPS evidence for ca. 100 meV band gap	no indications of a band gap of about 100 meV were seen	0.1 eV	about	Text Approximate	p003 / 6191 · Results · Fig. S8
Second electron cutoff (SECO)	SECO 16.7 eV	—	—	Figure Axis Approximate	p012 / SI Fig. S8 · UPS figure · Figure S8a
Vacuum-level cutoff feature (VBCO)	VBCO 0.5 eV	—	—	Figure Axis Approximate	p013 / SI Fig. S8 · UPS figure · Figure S8c

UV-vis-NIR absorption spectroscopy

UV-visible and optical absorption spectroscopy

Optimised Cu3(HHTP)2 SURMOF thin film · Thin Film

Agilent Cary 5000, 200-800 nm, reflection mode

Geometry: thin film
Context: pristine framework thin film
Measurement source: p005 / SI Experimental 2.2 · UV-Vis spectroscopy · Fig. S2

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Best SyCoFinder fitness scoreMarked as a best value within this paper	0.79	—	—	SI Table Exact Reported	p004 / SI Table S1 · Fitness · Table S1
ML UV-vis target band	integrated optical absorption in the 575 to 625 nm region	—	—	Text Range	p003 / 6191 · Results · Fig. 1; Fig. S2
Optimised sample optical appearance	almost entirely black samples after two ML optimisation rounds	—	—	Text Qualitative	p003 / 6191 · Results · Fig. S2