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Low-loading Pt/β-Mo2C catalyst for ethanol dissociation. Experimental and theoretical characterization
Nilda Chasvin1,2, Petr Švenda3, Estela Pronsato2
1Departamento de Química, Universidad Nacional del Sur, & INQUISUR, UNS-CONICET, Av. Alem 1253, 8000 Bahía Blanca, Argentina.
Physical Chemistry Chemical Physics : PCCP
|October 15, 2021
Summary
Adding a small amount of platinum (Pt) to molybdenum carbide (β-Mo2C) significantly enhances its catalytic activity for producing hydrogen (H2) from ethanol. This modified catalyst shows improved ethanol decomposition, making it a promising material for clean energy applications.
Area of Science:
- Materials Science
- Catalysis
- Surface Chemistry
Background:
- Hydrogen (H2) production from alcohols is crucial for clean energy.
- Molybdenum carbide (β-Mo2C) is a potential catalyst for alcohol decomposition.
- Noble metal modification can enhance carbide catalyst performance.
Purpose of the Study:
- To investigate the effect of low platinum (Pt) loading on β-Mo2C for ethanol decomposition.
- To understand the structural and electronic modifications induced by Pt.
- To evaluate the catalytic activity and H2 production efficiency of Pt/β-Mo2C.
Main Methods:
- Synthesis and characterization of Pt/β-Mo2C (0.1 wt% Pt) catalyst.
- X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS) for structural and chemical analysis.
- Density Functional Theory (DFT) and Climbing Image-Nudged Elastic Band (CI-NEB) calculations for mechanistic insights.
- Temperature Programmed Reaction (TPR) analysis for catalytic activity assessment.
Main Results:
- Pt addition modified the lattice parameters and electronic structure of β-Mo2C.
- Pt/β-Mo2C exhibited a two-fold increase in H2, CH4, and C2H6 production compared to pristine β-Mo2C.
- H2 production from ethanol on Pt/β-Mo2C showed a higher activation energy (0.64 eV) but enhanced overall decomposition.
Conclusions:
- Low Pt loading significantly alters the catalytic behavior of β-Mo2C.
- Pt/β-Mo2C demonstrates enhanced catalytic activity for ethanol decomposition.
- The modified carbide is a highly active and promising catalyst for H2 production.
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