First-Principles Study of Oxidation State and Coordination of Cu-Dimers in Cu-SSZ-13 during Methane-to-Methanol Reaction Conditions

Autor: Anders Hellman, Unni Engedahl, Henrik Grönbeck
Rok vydání: 2019
Předmět:
Zdroj: The Journal of Physical Chemistry C. 123:26145-26150
ISSN: 1932-7455
1932-7447
DOI: 10.1021/acs.jpcc.9b07954
Popis: Direct methane-to-methanol conversion is a dream reaction which presently can be realized via a three-step cycle over copper-exchanged zeolites; an activation phase, a reaction phase, and finally a...
Databáze: OpenAIRE