Spectroscopy — Tailoring Li-ion Storage and Transport in Two-Dimensional Conjugated Metal-Organic Frameworks via Precise Nitrogen Incorporation

4 measurement groups · 37 results

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

Cu-N2-OHBA bulk powder crystals · Powder

Measurement source: 4 · Material Synthesis and Characterization · Figures S11-S15; Table S1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
measured carbon content	39.36	—	—	Table Exact Reported	21 · 3.5. ICP-OES and Elemental analysis · Table S1
theoretical carbon content	39.76	—	—	Table Exact Reported	21 · 3.5. ICP-OES and Elemental analysis · Table S1
XPS Cu(II)/Cu(I) molar ratio	2.74	—	—	Text Exact Reported	4 · Material Synthesis and Characterization · Figure S13
theoretical Cu/C mass-fraction ratio	0.66	—	—	Table Exact Reported	21 · 3.5. ICP-OES and Elemental analysis · Table S1
measured Cu/C mass-fraction ratio	0.6	—	—	Table Exact Reported	21 · 3.5. ICP-OES and Elemental analysis · Table S1
theoretical copper content	26.29	—	—	Table Exact Reported	21 · 3.5. ICP-OES and Elemental analysis · Table S1
measured copper content	23.61	—	—	Table Exact Reported	21 · 3.5. ICP-OES and Elemental analysis · Table S1
acid-digested ligand molecular ion	m/z 509.0973	—	—	Text Exact Reported	4 · Material Synthesis and Characterization · Figure S15
measured hydrogen content	3.42	—	—	Table Exact Reported	21 · 3.5. ICP-OES and Elemental analysis · Table S1
theoretical hydrogen content	1.67	—	—	Table Exact Reported	21 · 3.5. ICP-OES and Elemental analysis · Table S1
theoretical formula	Cu2C16H8N2O8	—	—	Table Exact Reported	21 · 3.5. ICP-OES and Elemental analysis · Table S1

Cu-N2-OHBA bulk powder crystals · Powder

Measurement source: 5 · Electrical and Electronic Properties · Figures 2h, 2i, S28-S31

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
conduction band minimum vs vacuum	-3.17	—	—	Figure Axis Exact Reported	41 · 5.4. Band structure · Figure S31
Fermi level vs vacuum	-4.13	—	—	Figure Axis Exact Reported	41 · 5.4. Band structure · Figure S31
optical bandgap	1.59	—	—	Text Exact Reported	5 · Electrical and Electronic Properties · Figure 2h; Figure S29
secondary electron cutoff	17.09	—	—	Text Exact Reported	5 · Electrical and Electronic Properties · Figure 2i; Figure S30
valence band maximum vs vacuum	-4.76	—	—	Figure Axis Exact Reported	41 · 5.4. Band structure · Figure S31
VBM below Fermi level	0.63	—	—	Text Exact Reported	5 · Electrical and Electronic Properties · Figure S30
UPS work function	4.13	—	—	Text Exact Reported	5 · Electrical and Electronic Properties · Figure 2i; Figure S30
semiconductor type	p-type semiconductive nature for both conductive MOFs	—	—	Qualitative Qualitative	5 · Electrical and Electronic Properties · Figure S31

Cu-N4-OHBA bulk powder crystals · Powder

Measurement source: 4 · Material Synthesis and Characterization · Figures S11-S15; Table S2

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
measured carbon content	46.18	—	—	Table Exact Reported	22 · 3.5. ICP-OES and Elemental analysis · Table S2
theoretical carbon content	55.97	—	—	Table Exact Reported	22 · 3.5. ICP-OES and Elemental analysis · Table S2
XPS Cu(II)/Cu(I) molar ratio	10.52	—	—	Text Exact Reported	4 · Material Synthesis and Characterization · Figure S14
theoretical Cu/C mass-fraction ratio	0.31	—	—	Table Exact Reported	22 · 3.5. ICP-OES and Elemental analysis · Table S2
measured Cu/C mass-fraction ratio	0.36	—	—	Table Exact Reported	22 · 3.5. ICP-OES and Elemental analysis · Table S2
theoretical copper content	17.42	—	—	Table Exact Reported	22 · 3.5. ICP-OES and Elemental analysis · Table S2
measured copper content	16.51	—	—	Table Exact Reported	22 · 3.5. ICP-OES and Elemental analysis · Table S2
acid-digested ligand molecular ion	m/z 611.1180	—	—	Text Exact Reported	4 · Material Synthesis and Characterization · Figure S15
measured hydrogen content	2.23	—	—	Table Exact Reported	22 · 3.5. ICP-OES and Elemental analysis · Table S2
theoretical hydrogen content	1.38	—	—	Table Exact Reported	22 · 3.5. ICP-OES and Elemental analysis · Table S2
theoretical formula	Cu2C34H10N4O8	—	—	Table Exact Reported	22 · 3.5. ICP-OES and Elemental analysis · Table S2

Cu-N4-OHBA bulk powder crystals · Powder

Measurement source: 5 · Electrical and Electronic Properties · Figures 2h, 2i, S28-S31

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
conduction band minimum vs vacuum	-3.66	—	—	Figure Axis Exact Reported	41 · 5.4. Band structure · Figure S31
Fermi level vs vacuum	-4.5	—	—	Figure Axis Exact Reported	41 · 5.4. Band structure · Figure S31
optical bandgap	1.41	—	—	Text Exact Reported	5 · Electrical and Electronic Properties · Figure 2h; Figure S29
secondary electron cutoff	16.72	—	—	Text Exact Reported	5 · Electrical and Electronic Properties · Figure 2i; Figure S30
valence band maximum vs vacuum	-5.07	—	—	Figure Axis Exact Reported	41 · 5.4. Band structure · Figure S31
VBM below Fermi level	0.57	—	—	Text Exact Reported	5 · Electrical and Electronic Properties · Figure S30
UPS work function	4.5	—	—	Text Exact Reported	5 · Electrical and Electronic Properties · Figure 2i; Figure S30