Alloy Catalyst in a Reactive Environment: The Example of Ag-Cu Particles for Ethylene Epoxidation | Sciact - CRIS-система Института катализа

Alloy Catalyst in a Reactive Environment: The Example of Ag-Cu Particles for Ethylene Epoxidation Научная публикация

Журнал

Physical Review Letters
ISSN: 0031-9007 , E-ISSN: 1079-7114

Вых. Данные

Год: 2010, Том: 104, Номер: 3, Страницы: 035503 Страниц : 4 DOI: 10.1103/PhysRevLett.104.035503

Ключевые слова

SURFACE-SCIENCE; PHOTOELECTRON-SPECTROSCOPY; SELECTIVITY; 1ST-PRINCIPLES; COPPER; SILVER

Авторы

Piccinin Simone ^1,2 , Zafeiratos Spiros ^3,4 , Stampfl Catherine ¹ , Hansen Thomas W. ³ , Hävecker Michael ³ , Teschner Detre ³ , Bukhtiyarov Valerii I. ⁵ , Girgsdies Frank ³ , Knop-Gericke Axel ³ , Schlögl Robert ³ , Scheffler Matthias ³

Организации

1	School of Physics, The University of Sydney, Sydney, New South Wales 2006, Australia
2	CNR-INFM DEMOCRITOS National Simulation Center, Theory@Elettra Group, Trieste, Italy
3	Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin, Germany
4	LMSPC-UMR 7515 du CNRS, Strasbourg, France
5	Boreskov Institute of Catalysis, SB RAS, Novosibirsk 630090, Russia

Combining first-principles calculations and in situ photoelectron spectroscopy, we show how the composition and structure of the surface of an alloy catalyst is affected by the temperature and pressure of the reagents. The Ag-Cu alloy, recently proposed as an improved catalyst for ethylene epoxidation, forms a thin Cu-O surface oxide, while a Ag-Cu surface alloy is found not to be stable. Several possible surface structures are identified, among which the catalyst surface is likely to dynamically evolve under reaction conditions.

Piccinin S. , Zafeiratos S. , Stampfl C. , Hansen T.W. , Hävecker M. , Teschner D. , Bukhtiyarov V.I. , Girgsdies F. , Knop-Gericke A. , Schlögl R. , Scheffler M.
Alloy Catalyst in a Reactive Environment: The Example of Ag-Cu Particles for Ethylene Epoxidation

Physical Review Letters. 2010. V.104. N3. P.035503. DOI: 10.1103/PhysRevLett.104.035503 WOS Scopus РИНЦ CAPlusCA OpenAlex

Полный текст от издателя

Поступила в редакцию:	3 нояб. 2009 г.
Опубликована в печати:	1 янв. 2010 г.
Опубликована online:	22 янв. 2010 г.

Web of science:	WOS:000274003100024
Scopus:	2-s2.0-75149156519
РИНЦ:	15323913
Chemical Abstracts:	2010:132750
Chemical Abstracts (print):	152:384108
OpenAlex:	W2027952879

БД	Цитирований
Web of science	84
Scopus	86
РИНЦ	81
OpenAlex	89