Compound characterization data — Sakamoto et al., 2026

Kazutaka Sakamoto, Milivoj Plodinec, Christoph R. Müller, Christophe Copéret. “Catalysts deactivation models in propane dehydrogenation reaction.” ChemRxiv (2026). https://doi.org/10.26434/chemrxiv.15005215/v2

Catalyst-deactivation model results were not retained

γ-Al2O3-600
Titration with [Mg(CH2Ph)2(thf)2], Al−OH density	0.54 mmol/g
Accessible Al−OH groups	1.5 per nm²
BET surface area (nitrogen physisorption, 77 K)	215 m²/g

Si/γ-Al2O3-600
Titration with [Mg(CH2Ph)2(thf)2], E−OH density	0.50 mmol/g
Accessible E−OH groups (E = Si or Al)	1.4 per nm²

SiO2-700
Titration with [Mg(CH2Ph)2(thf)2], Si−OH density	0.32 mmol/g
Accessible Si−OH groups	0.95 per nm²
BET surface area (nitrogen physisorption, 77 K)	200 m²/g

PtGa/γ-Al2O3-0.8
Identifier	PtGa-0.8
Elemental analysis (ICP-AES), Pt	0.84 wt% (0.12 /nm²)
Elemental analysis (ICP-AES), Ga	1.21 wt% (0.49 /nm²)

PtGa/Si/γ-Al2O3-0.8
Identifier	PtGaSi-0.8
Elemental analysis (ICP-AES), Pt	0.85 wt% (0.12 /nm²)
Elemental analysis (ICP-AES), Ga	1.25 wt% (0.50 /nm²)
Elemental analysis, Si	1.75 wt% (1.7 /nm²)
STEM particle size	0.9 ± 0.2 nm
Ex-situ XANES Pt LIII-edge energy	11565.7 eV
Ex-situ XANES Pt LIII-edge shift from Pt foil	+1.7 eV
EXAFS fit settings (Pt LIII-edge)	S02 = 0.741; k range 3.0-10 Å; R range 1.5-3.5 Å; k weight 2, Hanning window dk = 1; Hanning window dr = 0.5
EXAFS Pt‒Ga path	CN 4.6 ± 0.4; R 2.45 ± 0.01 Å
EXAFS Pt‒Pt path	CN 2.7 ± 0.4; R 2.77 ± 0.01 Å
EXAFS CNPt−Ga/CNPt−Pt	1.7
EXAFS fit parameters, σ2 [Å²], ∆E0 [eV], R factor	σ2 = 0.009 ± 0.001 Å²; ∆E0 = 2.7 ± 0.9 eV; R factor = 0.001

PtGa/Si/γ-Al2O3-0.1
Identifier	PtGaSi-0.1
Elemental analysis (ICP-AES), Pt	0.12 wt% (0.017 /nm²)
Elemental analysis (ICP-AES), Ga	1.32 wt% (0.53 /nm²)
Elemental analysis, Si	1.78 wt% (1.8 /nm²)

PtGa/SiO2
Elemental analysis (ICP-AES), Pt	2.80 wt% (0.42 /nm²)
Elemental analysis (ICP-AES), Ga	1.17 wt% (0.51 /nm²)

PtGaK/Si/γ-Al2O3-0.8
Identifier	PtGaKSi-0.8
Elemental analysis (ICP-AES), Pt	0.89 wt% (0.13 /nm²)
Elemental analysis (ICP-AES), Ga	1.15 wt% (0.46 /nm²)
Elemental analysis (ICP-AES), K	0.62 wt% (0.45 /nm²)
Elemental analysis, Si	1.71 wt% (1.7 /nm²)
HAADF-STEM particle size distribution	d=1.3 nm; StdDev=0.3 nm; N=400
Particle size distribution assumption	The provided value for a size distribution assumes a normal distribution
EDX, O K	E(keV) 0.525; Mass% 51.12; σ 0.11; Atom% 65.65
EDX, Al K	E(keV) 1.486; Mass% 40.53; σ 0.10; Atom% 30.86
EDX, Si K	E(keV) 1.739; Mass% 1.74; σ 0.02; Atom% 1.27
EDX, K K	E(keV) 3.312; Mass% 1.53; σ 0.02; Atom% 0.80
EDX, Ga L	E(keV) 1.098; Mass% 4.65; σ 0.07; Atom% 1.37
EDX, Pt M	E(keV) 2.048; Mass% 0.44; σ 0.02; Atom% 0.05
Ex-situ XANES Pt LIII-edge energy	11565.7 eV
Ex-situ XANES Pt LIII-edge shift from Pt foil	+1.7 eV
EXAFS fit settings (Pt LIII-edge)	S02 = 0.741; k range 3.0-10 Å; R range 1.5-3.5 Å; k weight 2, Hanning window dk = 1; Hanning window dr = 0.5
EXAFS Pt‒Ga path	CN 5.9 ± 1.9; R 2.43 ± 0.02 Å
EXAFS Pt‒Pt path	CN 3.5 ± 1.7; R 2.74 ± 0.05 Å
EXAFS CNPt−Ga/CNPt−Pt	1.7
EXAFS fit parameters, σ2 [Å²], ∆E0 [eV], R factor	σ2 = 0.012 ± 0.003 Å²; ∆E0 = -2.0 ± 3.4 eV; R factor = 0.011

Pt foil
Ex-situ XANES Pt LIII-edge energy	11564.0 eV