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Effect of structure and composition of gold and gold-palladium clusters in H2O2 formationтезисы доклада
- Авторы: Pichugina D.A., Beletskaya A.V., Kuz’menko N.E.
- Сборник: Book of Abstracs of XII European Congress on Catalysis
- Тезисы
- Год издания: 2015
- Первая страница: 249
- Последняя страница: 249
- Аннотация: The DFT simulation of H2O2 formation from H2 and O2 on gold and gold-palladium clusters was performed. The Aun, Aun-1Pd (n=8, 20, 32), Au4Pd4, AuPd7 clusters was considered as the active sites of catalysts. Based on physical chemistry formalism, the conditions of the activity and selectivity of the H2O2 formation are supposed. The gold clusters demonstrate low activity in hydrogen peroxide formation. A Pd atom surrounded by gold atoms in AuPd clusters facilitates H2O2 synthesis.
- Добавил в систему: Пичугина Дарья Александровна