cMOF Evidence Base
Diffraction Structure — Single-Site, Single-Metal-Atom, Heterogeneous Electrocatalyst: Metal–Organic-Framework Supported Molybdenum Sulfide for Redox Mediator-Assisted Hydrogen Evolution Reaction

Measurement evidence

Diffraction Structure

Single-Site, Single-Metal-Atom, Heterogeneous Electrocatalyst: Metal–Organic-Framework Supported Molybdenum Sulfide for Redox Mediator-Assisted Hydrogen Evolution Reaction · Noh H., Yang Y., Zhang X. et al. · ChemElectroChem · 2020 · 509-516

2 measurement groups · 10 results

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

PXRD before/after electrode fabrication and bulk electrolysis

X-ray diffraction and scattering

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

Rigaku ATX-G, 2theta = 0.05 degree step, 2 degrees/min over 2-20 degrees at 50 kV and 240 mA; film washed before after-catalysis PXRD

Geometry
drop-cast film on FTO and powders
Context
target electrode stability
Measurement source
S3 · Physical Measurements and Instrumentation
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
crystalline framework retentionPXRD patterns confirm retention of crystalline framework during NDC installation, MoOx deposition, sulfidation, electrode fabrication and after bulk electrolysis——Text
Qualitative		513 · Redox Mediator-Assisted Electrocatalysis · Figure S6

single-crystal X-ray diffraction

X-ray diffraction and scattering

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

Bruker KAPPA APEX II, CuKalpha lambda = 1.54178 A, 200 K; SHELXT/SHELXL/Olex2 refinement with PLATON SQUEEZE

Temperature
200
Geometry
single crystal 0.04 x 0.04 x 0.03 mm3
Context
target catalyst single-crystal structure
Measurement source
S3 · Physical Measurements and Instrumentation
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Mo(SH)2 pore sitingMarked as a best value within this paperallocated exclusively to the perimeter of the hexagonal mesopore——Text
Qualitative		511 · Results and Discussion · Figure 3
Mo(SH)2 units per node in NDC-free MoSx-SIM2.6 +/- 0.2—+/- 0.2Caption
Exact Reported		510 · Introduction · Figure 1
unit cell a39.035(3) A—(3)SI Table
Exact Reported		S8 · Characterization · Table S3
unit cell c16.8479(12) A—(12)SI Table
Exact Reported		S8 · Characterization · Table S3
CCDC deposition number1955434——SI Table
Exact Reported		S8 · Characterization · Table S3
empirical formulaC50H22Mo0.16O16S0.32Zr3——SI Table
Exact Reported		S8 · Characterization · Table S3
final R1 index I >= 2 sigma(I)R1 = 0.0428——SI Table
Exact Reported		S8 · Characterization · Table S3
space groupP6/mmm——SI Table
Exact Reported		S8 · Characterization · Table S3
unit cell volume22232(3) A3—(3)SI Table
Exact Reported		S8 · Characterization · Table S3