Spectroscopy — A Computation-Guided Design of Highly Defined and Dense Bimetallic Active Sites on a Two-Dimensional Conductive Metal–Organic Framework for Efficient H2O2 Electrosynthesis

Measurement evidence

Spectroscopy

A Computation-Guided Design of Highly Defined and Dense Bimetallic Active Sites on a Two-Dimensional Conductive Metal–Organic Framework for Efficient H2O2 Electrosynthesis · Li Z., Jia J., Sang Z. et al. · Angewandte Chemie - International Edition · 2024 · e202408500

3 measurement groups · 16 results

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

in situ ATR-SEIRAS

Ni-TCPP(Co)/CNT/Nafion RRDE catalyst layer · Electrode

O2-saturated 0.1 M KOH; potential stepwise 1 to 0 V vs RHE; 60 s

Temperature
~298
Atmosphere
O2 saturated
Geometry
Si wafer with Au thin layer working electrode
Context
composite electrode
Measurement source
S6-S7 · In situ ATR-SEIRAS measurements · Figure S20
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
ATR-SEIRAS *OOH site assignment*OOH peaks assigned to both Ni-OOH and Co-OOH; HOOH signals detectedQualitative
Qualitative
6 · Catalytic Performance · Figure S20

Co/Ni K-edge XANES, EXAFS, WT-EXAFS fitting

Ni-TCPP(Co) nanosheets/crystals · Nanosheet

coordination and oxidation-state analysis of Co and Ni sites

Context
pristine framework
Measurement source
5 · Morphological and Structural Characterization · Figure 2; Table S3
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Co-N coordination numberN = 4SI Table
Exact Reported
S37 · Supplementary Tables · Table S3
Co-N distance1.95 AR +/- 1%SI Table
Exact Reported
S37 · Supplementary Tables · Table S3
Ni-O coordination numberN = 4SI Table
Exact Reported
S37 · Supplementary Tables · Table S3
Ni-O distance2.06 AR +/- 1%SI Table
Exact Reported
S37 · Supplementary Tables · Table S3
Co WT-EXAFS intensity maximum~4.2 A-1Text
Approximate
S20 · Figure S15 discussion · Figure S15
Ni WT-EXAFS intensity maximum~3.8 A-1Text
Approximate
S21 · Figure S16 discussion · Figure S16

XPS and FTIR

Ni-TCPP(Co) nanosheets/crystals · Nanosheet

N 1s, O 1s, Ni 2p, Co 2p, FTIR coordination assignments

Context
pristine framework
Measurement source
4-5 · Morphological and Structural Characterization · Figure 2; Figure S12-S14
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
FTIR coordination evidenceAbsence of O-H near 3425 cm-1 and porphyrin N-H near 966 cm-1 indicates M-N and M-O coordinationQualitative
Qualitative
S19 · Figure S14 discussion · Figure S14
O 1s C=O binding energy532.1 eVText
Exact Reported
4 · Morphological and Structural Characterization · Figure 2d,e; Figure S12
N 1s C-N binding energy400.7 eVText
Exact Reported
4 · Morphological and Structural Characterization · Figure 2d,e; Figure S12
N 1s C=N binding energy399.84 eVText
Exact Reported
4 · Morphological and Structural Characterization · Figure 2d,e; Figure S12
O 1s C-O binding energy533.35 eVText
Exact Reported
4 · Morphological and Structural Characterization · Figure 2d,e; Figure S12
N 1s Co-N binding energy398.6 eVText
Exact Reported
4 · Morphological and Structural Characterization · Figure 2d,e; Figure S12
Ni 2p1/2 binding energy874.0 eVText
Exact Reported
4 · Morphological and Structural Characterization · Figure 2d,e; Figure S12
Ni 2p3/2 binding energy856.2 eVText
Exact Reported
4 · Morphological and Structural Characterization · Figure 2d,e; Figure S12
O 1s Ni-O binding energy531.35 eVText
Exact Reported
4 · Morphological and Structural Characterization · Figure 2d,e; Figure S12