Origin of positive core-level shifts in Au clusters on oxides

被引：16

作者：

Yang, ZX ^{[1
]}

Wu, RQ ^{[1
]}

机构：

[1] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA

来源：

PHYSICAL REVIEW B | 2003年 / 67卷 / 08期

关键词：

D O I：

10.1103/PhysRevB.67.081403

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The origin of observed positive core-level shifts in sparse Au clusters on oxides is explored in representative metal oxide systems, namely, Au/MgO(001) and Au/TiO2(110) with a varying coverage and also in the presence of surface oxygen vacancies, by using the density-functional full-potential-linearized augmented-plane-wave method. The final-state effects are treated self-consistently by moving one core electron to the valence band. This approach provides excellent results for binding energies. Surprisingly, it is not the final-state contribution but the presence of surface O vacancies that causes the positive core-level shifts.

引用

页码：814031 / 814034

页数：4

共 29 条

[1] AB-INITIO SURFACE CORE-LEVEL SHIFTS AND SURFACE SEGREGATION ENERGIES [J].

ALDEN, M ;

SKRIVER, HL ;

JOHANSSON, B .

PHYSICAL REVIEW LETTERS, 1993, 71 (15) :2449-2452

[2] Core-level shifts of low coordination atoms at the W(320) stepped surface [J].

Cho, JH ;

Oh, DH ;

Kleinman, L .

PHYSICAL REVIEW B, 2001, 64 (11)

[3]

Chusuei CC, 2001, TOP CATAL, V14, P71

[4] CORE-LEVEL BINDING-ENERGY AND DENSITY OF STATES FROM SURFACE ATOMS OF GOLD [J].

CITRIN, PH ;

WERTHEIM, GK ;

BAER, Y .

PHYSICAL REVIEW LETTERS, 1978, 41 (20) :1425-1428

[5] CORE-LEVEL SHIFTS AND THE ELECTRONIC-STRUCTURE OF CU3AU [J].

EBERHARDT, W ;

WU, SC ;

GARRETT, R ;

SONDERICKER, D ;

JONA, F .

PHYSICAL REVIEW B, 1985, 31 (12) :8285-8287

[6]

Freund HJ, 2000, ADV CATAL, V45, P333

[7] Clusters and islands on oxides: from catalysis via electronics and magnetism to optics [J].

Freund, HJ .

SURFACE SCIENCE, 2002, 500 (1-3) :271-299

[8] Advances in the catalysis of Au nanoparticles [J].

Haruta, M ;

Daté, M .

APPLIED CATALYSIS A-GENERAL, 2001, 222 (1-2) :427-437

[9]

HEDIN L, 1972, J PHYS C SOLID STATE, V33, P373

[10] PHOTOCATALYSIS ON TIO2 SURFACES - PRINCIPLES, MECHANISMS, AND SELECTED RESULTS [J].

LINSEBIGLER, AL ;

LU, GQ ;

YATES, JT .

CHEMICAL REVIEWS, 1995, 95 (03) :735-758

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