CO Adsorption on Clean and Oxidized Pd(111)

被引：79

作者：

Martin, N. M. ^{[1
]}

Van den Bossche, M. ^{[2
,3
]}

Gronbeck, H. ^{[2
,3
]}

Hakanoglu, C. ^{[4
]}

Zhang, F. ^{[4
]}

Li, T. ^{[4
]}

Gustafson, J. ^{[1
]}

Weaver, J. F. ^{[4
]}

Lundgren, E. ^{[1
]}

机构：

[1] Lund Univ, Div Synchrotron Radiat Res, S-22100 Lund, Sweden

[2] Chalmers Univ Technol, Dept Appl Phys, D-41296 Gottingen, Germany

[3] Chalmers Univ Technol, Competence Ctr Catalysis, S-41296 Gothenburg, Sweden

[4] Univ Florida, Dept Chem Engn, Gainesville, FL 32611 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY C | 2014年 / 118卷 / 02期

基金：

瑞典研究理事会;

关键词：

REFLECTION-ABSORPTION SPECTROSCOPY; TOTAL-ENERGY CALCULATIONS; PDO(101) THIN-FILM; VIBRATIONAL SPECTROSCOPY; CATALYTIC REACTIVITY; ORDERED STRUCTURES; ULTRAHIGH-VACUUM; CARBON-MONOXIDE; SURFACE OXIDE; OXIDATION;

D O I：

10.1021/jp410895c

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The adsorption of CO on clean and oxidized Pd(111) surfaces has been investigated using a combination of high-resolution core level spectroscopy (HRCLS), reflection absorption infrared spectroscopy (RAIRS), and density functional theory (DFT) calculations. The HRCLS and RAIRS measurements reveal that CO adsorbs on Pd(111), Pd(5)O4 and PdO(101) at 100 +/- 10 K and that the CO coverage decreases with increasing oxidation state of Pd for the same CO exposures of 10 Langmuirs. Based on the DFT calculations, the CO layer on clean Pd(111) was found to include molecular adsorption in both hollow and bridge sites, whereas CO occupies a combination of bridge and atop sites on the Pd5O4 and PdO(101) surfaces.

引用

页码：1118 / 1128

页数：11

共 65 条

[1] Coverage- and temperature-dependent site occupancy of carbon monoxide on Rh(111) studied by high-resolution core-level photoemission [J].

Beutler, A ;

Lundgren, E ;

Nyholm, R ;

Andersen, JN ;

Setlik, BJ ;

Heskett, D .

SURFACE SCIENCE, 1998, 396 (1-3) :117-136

[2] PROJECTOR AUGMENTED-WAVE METHOD [J].

BLOCHL, PE .

PHYSICAL REVIEW B, 1994, 50 (24) :17953-17979

[3] In Situ X-Ray Photoelectron Spectroscopy of Model Catalysts: At the Edge of the Gap [J].

Blomberg, S. ;

Hoffmann, M. J. ;

Gustafson, J. ;

Martin, N. M. ;

Fernandes, V. R. ;

Borg, A. ;

Liu, Z. ;

Chang, R. ;

Matera, S. ;

Reuter, K. ;

Lundgren, E. .

PHYSICAL REVIEW LETTERS, 2013, 110 (11)

[4] MOLECULAR ORBITAL VIEW OF CHEMISORBED CARBON MONOXIDE [J].

BLYHOLDER, G .

JOURNAL OF PHYSICAL CHEMISTRY, 1964, 68 (10) :2772-&

[5] Vibrational spectroscopy of imperfect CO/Pd(111) surfaces obtained by adsorption between 150 and 230 K [J].

Bourguignon, B ;

Carrez, S ;

Dragnea, B ;

Dubost, H .

SURFACE SCIENCE, 1998, 418 (01) :171-180

[6] CHEMISORPTION OF CARBON-MONOXIDE ON PALLADIUM SINGLE-CRYSTAL SURFACES - IR SPECTROSCOPIC EVIDENCE FOR LOCALIZED SITE ADSORPTION [J].

BRADSHAW, AM ;

HOFFMANN, FM .

SURFACE SCIENCE, 1978, 72 (03) :513-535

[7]

Chen M., 2013, TOP CATAL, V56

[8] STM study of high-coverage structures of atomic oxygen on Pt(111): p(2 x 1) and Pt oxide chain structures [J].

Devarajan, Sunil P. ;

Hinojosa, Jose A., Jr. ;

Weaver, Jason F. .

SURFACE SCIENCE, 2008, 602 (19) :3116-3124

[9]

Ertl G., 1997, HDB HETEROGENEOUS CA

[10] In situ XPS study of Pd(111) oxidation at elevated pressure, Part 2:: Palladium oxidation in the 10-1 mbar range [J].

Gabasch, Harald ;

Unterberger, Werner ;

Hayek, Konrad ;

Kloetzer, Bernhard ;

Kleimenov, Evgueni ;

Teschner, Detre ;

Zafeiratos, Spiros ;

Haevecker, Michael ;

Knop-Gericke, Axel ;

Schloegl, Robert ;

Han, Jinyi ;

Ribeiro, Fabio H. ;

Aszalos-Kiss, Balazs ;

Curtin, Teresa ;

Zemlyanov, Dmitry .

SURFACE SCIENCE, 2006, 600 (15) :2980-2989

← 1 2 3 4 5 6 7 →