Spectroscopy — In Situ Construction of Amide-Functionalized 2D Conjugated Metal-Organic Frameworks with Multiple Active Sites for High-Performance Potassium-Ion Batteries

4 measurement groups · 27 results

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

Cu-HBB-MOF cathode electrode in CR2025 potassium half-cell · Electrode

pristine, discharge to 1.0 V, charge to 3.8 V; Cu K-edge XAFS

Geometry: cycled cathode electrode
Context: MOF/Super P/PVDF electrode composite
Measurement source: p006-p007 / 18343-18344 · K+ storage mechanism · Figure 4; Figure S33; Table S9

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Cu-HBB-MOF charge_3p8v Cu...C distance	2.65 A	—	—	SI Table Exact Reported	S35 · Section 12 · Table S9
Cu-HBB-MOF charge_3p8v Cu-O distance	1.93 A	—	—	SI Table Exact Reported	S35 · Section 12 · Table S9
Cu-HBB-MOF charge_3p8v EXAFS R factor	0.01	—	—	SI Table Exact Reported	S35 · Section 12 · Table S9
Cu-HBB-MOF discharge_1v Cu...C distance	2.6 A	—	—	SI Table Exact Reported	S35 · Section 12 · Table S9
Cu-HBB-MOF discharge_1v Cu-O distance	1.88 A	—	—	SI Table Exact Reported	S35 · Section 12 · Table S9
Cu-HBB-MOF discharge_1v EXAFS R factor	0.009	—	—	SI Table Exact Reported	S35 · Section 12 · Table S9
Cu-HBB-MOF pristine Cu...C distance	2.66 A	—	—	SI Table Exact Reported	S35 · Section 12 · Table S9
Cu-HBB-MOF pristine Cu-O distance	1.92 A	—	—	SI Table Exact Reported	S35 · Section 12 · Table S9
Cu-HBB-MOF pristine EXAFS R factor	0.006	—	—	SI Table Exact Reported	S35 · Section 12 · Table S9
discharged Cu K-edge peak	8996.06 eV	—	—	Text Exact Reported	p006 / 18343 · K+ storage mechanism · Figure 4a
pristine Cu K-edge peak	8998.24 eV	—	—	Text Exact Reported	p006 / 18343 · K+ storage mechanism · Figure 4a

as-synthesised Cu-HBB-MOF black powder · Powder

reflection mode, 400-4000 cm-1; compared ligand and MOF

Context: pristine powder
Measurement source: p002 / 18339 · Synthesis and Characterization · Figures S11-S12

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Cu-HBB-MOF Cu-N stretching	approximately 592 cm-1	—	—	Text Approximate	p002 / 18339 · Synthesis and Characterization · Figures S11-S12
Cu-HBB-MOF Cu-O vibration	507 cm-1	—	—	Text Rounded Reported	p002 / 18339 · Synthesis and Characterization · Figures S11-S12
Cu-Salphen-MOF Cu-N stretching	approximately 575 cm-1	—	—	Text Approximate	p002 / 18339 · Synthesis and Characterization · Figures S11-S12
Cu-Salphen-MOF Cu-O vibration	512 cm-1	—	—	Text Rounded Reported	p002 / 18339 · Synthesis and Characterization · Figures S11-S12

Cu-HBB-MOF cathode electrode in CR2025 potassium half-cell · Electrode

Cu-HBB-MOF electrode monitored during charge/discharge

Geometry: cycled cathode electrode
Context: MOF/Super P/PVDF electrode composite
Measurement source: p007 / 18344 · K+ storage mechanism · Figure 4e-f; Figure S37

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
C=O band during discharge	approximately 1720 cm-1 diminishes during discharge	—	—	Text Approximate	p007 / 18344 · K+ storage mechanism · Figure 4e
C-O-K band during discharge	approximately 1170 cm-1 enhanced	—	—	Text Approximate	p007 / 18344 · K+ storage mechanism · Figure 4e
Cu+ 2p3/2 XPS peak	932.3 eV	—	—	Text Rounded Reported	p007 / 18344 · K+ storage mechanism · Figure S37b
Cu2+ 2p3/2 XPS peak	934.4 eV	—	—	Text Rounded Reported	p007 / 18344 · K+ storage mechanism · Figure S37b
O 1s C-O peak	around 533.5 eV	—	—	Text Approximate	p007 / 18344 · K+ storage mechanism · Figure S37c
O 1s C-O-Cu peak	around 531.2 eV	—	—	Text Approximate	p007 / 18344 · K+ storage mechanism · Figure S37c
O 1s C=O peak	around 532.1 eV	—	—	Text Approximate	p007 / 18344 · K+ storage mechanism · Figure S37c

as-synthesised Cu-HBB-MOF black powder · Powder

Cu K edge, BSRF 4B9A and SSRF BL17B1; Athena/Artemis analysis

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Cu-HBB-MOF Cu...C distance	2.66 A	—	—	SI Table Exact Reported	S28 · Section 11 · Table S7
Cu-HBB-MOF Cu-O distance	1.92 A	—	—	SI Table Exact Reported	S28 · Section 11 · Table S7
Cu-Salphen-MOF Cu...C distance	2.66 A	—	—	SI Table Exact Reported	S28 · Section 11 · Table S7
Cu-Salphen-MOF Cu-O distance	1.93 A	—	—	SI Table Exact Reported	S28 · Section 11 · Table S7
Cu oxidation state assignment	consistent +2 oxidation state for copper centers	—	—	Qualitative Qualitative	p003 / 18340 · Crystalline Structure · Figure 2a