Record link: 
http://hdl.handle.net/20.500.12708/192377
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Title: 
Low Oxygen Surface Coverage Drives the Activity of Two-Dimensional Molybdenum Carbide in the Fischer-Tropsch Synthesis (FTS)
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Citation: 
Kontoupi, E., Barrios, A. J., Chen, Z., Müller, C. R., Ordomsky, V., Comas Vives, A., & Fedorov, A. (2023, June 21). Low Oxygen Surface Coverage Drives the Activity of Two-Dimensional Molybdenum Carbide in the Fischer-Tropsch Synthesis (FTS) [Conference Presentation]. NAM 28 - The 28th North American Catalysis Society Meeting 2023, Providence, Rhode Island, United States of America (the). http://hdl.handle.net/20.500.12708/192377
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Publication Type: 
Presentation - Conference Presentation
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Language: 
English
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Authors: 
Kontoupi, Evgenia 
Barrios, Alan J. 
Chen, Zixuan 
Müller, Christoph R. 
Ordomsky, Vitaly 
Comas Vives, Aleix 
Fedorov, Alexey 
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Organisational Unit: 
E165-03-1 - Forschungsgruppe Theoretische Materialchemie 
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Date (published): 
21-Jun-2023
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Event name: 
NAM 28 - The 28th North American Catalysis Society Meeting 2023 
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Event date: 
18-Jun-2023 - 23-Jun-2023
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Event place: 
Providence, Rhode Island, United States of America (the)
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Keywords: 
Fischer-Tropsch Synthesis; 2D Molybdenum Carbide; DFT Calculations
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Abstract: 
Two-dimensional Mo₂C catalyzes the Fischer-Tropsch Synthesis to higher alkanes. High activity correlates with the absence of surface O* sites. DFT analysis explains the absence of olefins and oxygenates in products. This work shows how catalytic properties of transition metal carbides depend on the surface oxygen coverage.
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Project (external): 
ETH Zurich
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Project ID: 
ETH-40 19-2
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Link (external): 
https://nam.confex.com/nam/2023/meetingapp.cgi/Paper/30366
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Research Areas: 
Metallic Materials: 30%
Quantum Modeling and Simulation: 40%
Materials Characterization: 30%
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Science Branch: 
1040 - Chemie: 70%
1030 - Physik, Astronomie: 30%
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