Finite-Size Effects in O and CO Adsorption for the Late Transition Metals

被引：67

作者：

Peterson, Andrew A. ^{[1
,2
]}

Grabow, Lars C. ^{[1
,2
]}

Brennan, Thomas P. ^{[1
]}

Shong, Bonggeun ^{[1
]}

Ooi, Chinchun ^{[1
]}

Wu, Di M. ^{[3
]}

Li, Christina W. ^{[3
]}

Kushwaha, Amit ^{[4
]}

Medford, Andrew J. ^{[1
,2
]}

Mbuga, Felix ^{[1
]}

Li, Lin ^{[2
,3
]}

Norskov, Jens K. ^{[1
,2
,5
]}

机构：

[1] Stanford Univ, Dept Chem Engn, Stanford, CA 94305 USA

[2] Stanford Univ, SUNCAT Ctr Interface Sci & Catalysis, Stanford, CA 94305 USA

[3] Stanford Univ, Dept Chem, Stanford, CA 94305 USA

[4] Stanford Univ, Dept Mech Engn, Stanford, CA 94305 USA

[5] SLAC Natl Accelerator Lab, Menlo Pk, CA USA

来源：

TOPICS IN CATALYSIS | 2012年 / 55卷 / 19-20期

关键词：

Adsorption; Cluster; Periodic; Finite size; CARBON-MONOXIDE OXIDATION; SUPPORTED GOLD CATALYSTS; LOW-TEMPERATURE; OXYGEN REDUCTION; ROOM-TEMPERATURE; NANOPARTICLES; AU; CLUSTERS; TRENDS; TIO2;

D O I：

10.1007/s11244-012-9908-x

中图分类号：

O69 [应用化学];

学科分类号：

081704 ;

摘要：

Gold is known to become significantly more catalytically active as its particle size is reduced, and other catalysts are also known to exhibit finite-size effects. To understand the trends related to finite-size effects, we have used density functional theory to study adsorption of representative adsorbates, CO and O, on the late transition metals Co, Ni, Cu, Ir, Pd, Ag, Rh, Pt and Au. We studied adsorption energies and geometries on 13-atom clusters and compared them to the fcc(111) and fcc(211) crystal facets. In all cases, adsorbates were found to bind significantly more strongly to the 13-atom clusters than to the extended surfaces. The binding strength of both adsorbates were found to correlate very strongly with the average coordination number of the metal atoms to which the adsorbate binds, indicating that the finite-size effects in bonding are not specific to gold.

引用

页码：1276 / 1282

页数：7

共 45 条

[31] Active role of oxide support during CO oxidation at Au/MgO [J].

Molina, LM ;

Hammer, B .

PHYSICAL REVIEW LETTERS, 2003, 90 (20) :4-206102

[32] Real-space grid implementation of the projector augmented wave method [J].

Mortensen, JJ ;

Hansen, LB ;

Jacobsen, KW .

PHYSICAL REVIEW B, 2005, 71 (03)

[33] CO oxidation below room temperature over Ir/TiO2 catalyst prepared by deposition precipitation method [J].

Okumura, M ;

Masuyama, N ;

Konishi, E ;

Ichikawa, S ;

Akita, T .

JOURNAL OF CATALYSIS, 2002, 208 (02) :485-489

[34] Using three dimensions in catalytic mesoporous nanoarchitectures [J].

Pietron, JJ ;

Stroud, RM ;

Rolison, DR .

NANO LETTERS, 2002, 2 (05) :545-549

[35] Synthesis and catalytic properties of metal nanoparticles: Size, shape, support, composition, and oxidation state effects [J].

Roldan Cuenya, Beatriz .

THIN SOLID FILMS, 2010, 518 (12) :3127-3150

[36] When gold is not noble:: Nanoscale gold catalysts [J].

Sanchez, A ;

Abbet, S ;

Heiz, U ;

Schneider, WD ;

Häkkinen, H ;

Barnett, RN ;

Landman, U .

JOURNAL OF PHYSICAL CHEMISTRY A, 1999, 103 (48) :9573-9578

[37] Gold-nanotube membranes for the oxidation of CO at gas-water interfaces [J].

Sanchez-Castillo, MA ;

Couto, C ;

Kim, WB ;

Dumesic, JA .

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2004, 43 (09) :1140-1142

[38] Strain and coordination effects in the adsorption properties of early transition metals: A density-functional theory study [J].

Schnur, Sebastian ;

Gross, Axel .

PHYSICAL REVIEW B, 2010, 81 (03)

[39] CO oxidation over supported gold catalysts-"inert" and "active" support materials and their role for the oxygen supply during reaction [J].

Schubert, MM ;

Hackenberg, S ;

van Veen, AC ;

Muhler, M ;

Plzak, V ;

Behm, RJ .

JOURNAL OF CATALYSIS, 2001, 197 (01) :113-122

[40] Size-dependent catalytic behavior of platinum nanoparticles on the hexacyanoferrate(III)/thiosulfate redox reaction [J].

Sharma, RK ;

Sharma, P ;

Maitra, A .

JOURNAL OF COLLOID AND INTERFACE SCIENCE, 2003, 265 (01) :134-140

← 1 2 3 4 5 →