On the activation of molecular hydrogen by gold:: a theoretical approximation to the nature of potential active sites

被引：152

作者：

Corma, Avelino ^{[1
]}

Boronat, Mercedes

Gonzalez, Silvia

Illas, Francesc

机构：

[1] Univ Politecn Valencia, CSIC, Inst Tecnol Quim, E-46022 Valencia, Spain

[2] Univ Barcelona, Dept Quim Fis, E-08B028 Barcelona, Spain

[3] Univ Barcelona, Ctr Especial Recerca Quim Teor, E-08B028 Barcelona, Spain

[4] Parc Cient Barcelona, E-08B028 Barcelona, Spain

来源：

CHEMICAL COMMUNICATIONS | 2007年 / 32期

关键词：

D O I：

10.1039/b708468d

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The study of adsorption and dissociation of molecular hydrogen on single crystal Au(111) and Au(001) surfaces, monoatomic rows in an extended line defect and different Au nanoparticles by means of DF calculations allows us to firmly conclude that the necessary and sufficient condition for H(2) dissociation is the existence of low coordinated Au atoms, regardless if they are in nanoparticles or at extended line defects.

引用

页码：3371 / 3373

页数：3

共 30 条

[1] A collaborative effect between gold and a support induces the selective oxidation of alcohols [J].

Abad, A ;

Concepción, P ;

Corma, A ;

García, H .

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2005, 44 (26) :4066-4069

[2] Promotion by sulfur of gold catalysts for crotyl alcohol formation from crotonaldehyde hydrogenation [J].

Bailie, JE ;

Hutchings, GJ .

CHEMICAL COMMUNICATIONS, 1999, (21) :2151-2152

[3] A density functional theory study of the dissociation of H2 on gold clusters:: Importance of fluxionality and ensemble effects [J].

Barrio, L. ;

Liu, P. ;

Rodriguez, J. A. ;

Campos-Martin, J. M. ;

Fierro, J. L. G. .

JOURNAL OF CHEMICAL PHYSICS, 2006, 125 (16)

[4] Acetylene hydrogenation on Au-based catalysts [J].

Choudhary, TV ;

Sivadinarayana, C ;

Datye, AK ;

Kumar, D ;

Goodman, DW .

CATALYSIS LETTERS, 2003, 86 (1-3) :1-8

[5] In situ UV-vis and EPR study on the formation of hydroperoxide species during direct gas phase propylene epoxidation over Au/Ti-SiO2 catalyst [J].

Chowdhury, Biswajit ;

Bravo-Suarez, Juan J. ;

Mimura, Naoki ;

Lu, Jiqing ;

Bando, Kyoko K. ;

Tsubota, Susumu ;

Haruta, Masatake .

JOURNAL OF PHYSICAL CHEMISTRY B, 2006, 110 (46) :22995-22999

[6] Heterogeneously catalysed hydrogenation using gold catalysts [J].

Claus, P .

APPLIED CATALYSIS A-GENERAL, 2005, 291 (1-2) :222-229

[7] Chemoselective hydrogenation of nitro compounds with supported gold catalysts [J].

Corma, Avelino ;

Serna, Pedro .

SCIENCE, 2006, 313 (5785) :332-334

[8] Active nonmetallic Au and Pt species on ceria-based water-gas shift catalysts [J].

Fu, Q ;

Saltsburg, H ;

Flytzani-Stephanopoulos, M .

SCIENCE, 2003, 301 (5635) :935-938

[9] Enantioselective hydrogenation of alkenes and imines by a gold catalyst [J].

González-Arellano, C ;

Corma, A ;

Iglesias, M ;

Sánchez, F .

CHEMICAL COMMUNICATIONS, 2005, (27) :3451-3453

[10] Spectroscopic evidence for the supply of reactive oxygen during CO oxidation catalyzed by gold supported on nanocrystalline CeO2 [J].

Guzman, J ;

Carrettin, S ;

Corma, A .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2005, 127 (10) :3286-3287

← 1 2 3 →