Reaction Mechanism for Methane-to-Methanol in Cu-SSZ-13: First-Principles Study of the Z<sub>2</sub>[Cu<sub>2</sub>O] and Z<sub>2</sub>[Cu<sub>2</sub>OH] Motifs

Reaction Mechanism for Methane-to-Methanol in Cu-SSZ-13: First-Principles Study of the Z<sub>2</sub>[Cu<sub>2</sub>O] and Z<sub>2</sub>[Cu<sub>2</sub>OH] Motifs

As transportation continues to increase world-wide, there is a need for more efficient utilization of fossil fuel. One possibility is direct conversion of the solution gas bi-product CH<inline-formula><math display="inline"><semantics><msub><mrow></mrow>...

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Bibliographic Details
Main Authors: Unni Engedahl, Adam A. Arvidsson, Henrik Grönbeck, Anders Hellman
Format: Article
Language:English
Published: MDPI AG 2020-12-01
Series:Catalysts
Subjects:
DFT
reaction mechanism
micro-kinetic model
small-pore zeolite
chabazite
SSZ-13
Online Access:https://www.mdpi.com/2073-4344/11/1/17

Internet

https://www.mdpi.com/2073-4344/11/1/17

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