Spectroscopy — Nanorods of a novel highly conductive 2D metal-organic framework based on perthiolated coronene for thermoelectric conversion

6 measurement groups · 11 results

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

Ni-PTC nanorod dark powder · Powder

JEOL JES-Fa200; solid-state ESR at 10 K.

Temperature: 10
Geometry: powder
Context: pristine Ni-PTC MOF powder
Measurement source: 6 · Magnetic susceptibilities and electron spin resonance (ESR) · Fig. S9

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
ESR spectrum at 10 K	Similar ESR spectrum at 10 K with sharper signal	—	—	Text Qualitative	6 · Magnetic susceptibilities and electron spin resonance (ESR) · Fig. S9

Ni-PTC nanorod dark powder · Powder

JEOL JES-Fa200; solid-state ESR at room temperature.

Temperature: 300
Geometry: powder
Context: pristine Ni-PTC MOF powder
Measurement source: 6 · Magnetic susceptibilities and electron spin resonance (ESR) · Fig. 5b

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
ESR g value at room temperature	g = 2.015	—	—	Text Exact Reported	6 · Magnetic susceptibilities and electron spin resonance (ESR) · Fig. 5b

Ni-PTC nanorod dark powder · Powder

TENSOR-27 spectrometer; Ni-PTC nanorods recorded on KBr pellets and compared with ligand PTC.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
PTC S-H stretch disappears after Ni coordination	S-H signal at 2512 cm-1 disappeared in Ni-PTC	—	—	Caption Exact Reported	3 · Supplementary Figures · Fig. S1

Ni-PTC nanorod dark powder · Powder

Tauc plot of (h nu alpha)^2 versus photon energy for Ni-PTC.

Geometry: powder
Context: pristine Ni-PTC MOF powder
Measurement source: 4 · Thermoelectric performance of the Ni-PTC powder · Fig. 3a

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Optical band gap	about 0.35 eV	—	about	Caption Approximate	4 · Thermoelectric performance of the Ni-PTC powder · Fig. 3a

Ni-PTC pressed pellet for UPS · Pellet

AXIS Ultra-DLD UHV photoemission system; He I source 21.11 eV; pressed pellet thickness about 0.1 mm.

Temperature: 300
Atmosphere: ultrahigh vacuum
Geometry: pressed pellet
Context: pristine Ni-PTC MOF pellet
Measurement source: 5 · Electronic structure simulation and characterizations · Fig. S8

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
UPS Fermi-to-valence gap	UPS shows an energy gap between the Fermi level and the valence band edge.	—	—	Text Qualitative	5 · Electronic structure simulation and characterizations · Fig. S8

Ni-PTC nanorod dark powder · Powder

AXIS Ultra-DLD UHV photoemission system; monochromatic magnesium Kalpha source 1253.8 eV; Ni-PTC powder sample.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Ni2+ 2p3/2 binding energy	Ni2+ 2p3/2 = 852.0 eV	—	—	Caption Exact Reported	8 · Supplementary Figures · Fig. S7
Ni3+ 2p3/2 binding energy	Ni3+ 2p3/2 = 855.7 eV	—	—	Caption Exact Reported	8 · Supplementary Figures · Fig. S7
Ni2+/Ni3+ surface ratio	Ni2+/Ni3+ about 1:1	—	about 1:1	Caption Approximate	8 · Supplementary Figures · Fig. S7
S 2p C-S component binding energy 1	C-S unit peak = 163.4 eV	—	—	Caption Exact Reported	8 · Supplementary Figures · Fig. S7
S 2p Ni-S component binding energy	Ni-S peak = 161.8 eV	—	—	Caption Exact Reported	8 · Supplementary Figures · Fig. S7
S 2p S-O component binding energy	S-O weak peak = 167.3 eV	—	—	Caption Exact Reported	8 · Supplementary Figures · Fig. S7