Spectroscopy — Single-Site, Single-Metal-Atom, Heterogeneous Electrocatalyst: Metal–Organic-Framework Supported Molybdenum Sulfide for Redox Mediator-Assisted Hydrogen Evolution Reaction

5 measurement groups · 10 results

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

MoSx-SIM-NDC-SALI powder/single crystals · Single Crystal

MOF digestion in 1 mL HNO3 followed by microwave treatment at 150 degrees C for 15 min; Varian Vista-MDX ICP-OES

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Mo atoms per Zr6 nodeMarked as a best value within this paper	2.3 +/- 0.3	—	+/- 0.3	Text Exact Reported	511 · Results and Discussion
S atoms per Mo atomMarked as a best value within this paper	2.3 +/- 0.2	—	+/- 0.2	Text Exact Reported	511 · Results and Discussion

MoSx-SIM-NDC-SALI powder/single crystals · Single Crystal

Agilent DD2 500 MHz NMR; NDC incorporation determined by integration of pyrene linker and NDC resonances

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
NDC incorporated per Zr6 in MoOx-SIM-NDC-SALI	1.1	—	—	SI Table Exact Reported	S6 · Characterization · Table S2
NDC incorporated per Zr6 in MoSx-SIM-NDC-SALIMarked as a best value within this paper	1.1	—	—	SI Table Exact Reported	S6 · Characterization · Table S2
NDC incorporated per Zr6 in NDC-SALI	1.0	—	—	SI Table Exact Reported	S6 · Characterization · Table S2

MoSx-SIM-NDC-SALI/FTO electrode · Electrode

Shimadzu 1601 UV-Vis; decomposed MoSx-SIM-NDC-SALI film used to deduce turnover frequency

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
UV-vis peak used for TOF deduction	peak near 380 nm in Figure S11	—	visual estimate	Figure Axis Approximate	S12 · Characterization · Figure S11

MoSx-SIM-NDC-SALI powder/single crystals · Single Crystal

Mo K-edge 20000 eV at APS DND-CAT Sector 5; Mo foil calibration; Athena/Artemis/Hephaestus analysis

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
EXAFS primary scattering peak for oxide derivative	1.2 A	—	—	Text Rounded Reported	511 · Results and Discussion · Figure S3b
EXAFS primary scattering peak for sulfide derivativeMarked as a best value within this paper	1.9 A	—	—	Text Rounded Reported	511 · Results and Discussion · Figure S3b
Mo valence/local standard match	edge energies correlate with Mo(IV) sulfide standard	—	—	Text Qualitative	511 · Results and Discussion · Figure S3a

MoSx-SIM-NDC-SALI powder/single crystals · Single Crystal

Thermo Scientific ESCALAB 250 Xi, Al Kalpha radiation 1486.6 eV, C 1s calibration at 284.8 eV

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
S oxidation stateMarked as a best value within this paper	ligated sulfur is 2-	—	—	Text Exact Reported	511 · Results and Discussion · Figure S4