Understanding the Low-Overpotential Production of CH4 from CO2 on Mo2C Catalysts
| Autor: | Yin-Jia Zhang, Ronald Michalsky, Seok Ki Kim, Andrew A. Peterson, Helen K. Bergstrom |
|---|---|
| Rok vydání: | 2016 |
| Předmět: |
Tafel equation
Chemistry Inorganic chemistry 02 engineering and technology General Chemistry Pourbaix diagram Overpotential 010402 general chemistry 021001 nanoscience & nanotechnology Electrocatalyst 01 natural sciences Catalysis 0104 chemical sciences Transition metal Energy transformation Density functional theory 0210 nano-technology |
| Zdroj: | ACS Catalysis. 6:2003-2013 |
| ISSN: | 2155-5435 |
| DOI: | 10.1021/acscatal.5b02424 |
| Popis: | While Cu is the only electrocatalyst that converts CO2 into meaningful quantities of CH4 fuel, it requires significant overpotentials (onset potential of ∼−0.80 V vs RHE), decreasing energy conversion efficiencies. We report that Mo2C is capable of catalyzing CO2 into CH4 at low potentials (onset potential of ∼−0.55 V vs RHE), where Cu electrocatalysts do not convert CO2. This low-overpotential catalyst was first identified as a candidate by electronic structure calculations, which indicated the free energetics of CO hydrogenation to be more favorable than that on conventional transition metals such as Cu. Despite the low onset potential for CH4, the CH4 has a steep Tafel slope (∼−280 mV/dec), resulting in most of the current passing through the Mo2C electrocatalysts being utilized for the competitive hydrogen evolution reaction. We conducted a detailed theoretical analysis on the basis of density functional theory calculations, microkinetic analysis, and simulated Pourbaix diagrams to suggest the reasons... |
| Databáze: | OpenAIRE |
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