Effects of carbon supports on Pt nano-cluster catalyst

被引：39

作者：

Cuong, Nguyen Thanh ^{[1
]}

Fujiwara, Akihiko ^{[1
]}

Mitani, Tadaoki ^{[1
]}

Chi, Dam Hieu ^{[1
,2
]}

机构：

[1] Japan Adv Inst Sci & Technol, Sch Mat Sci, Nomi, Ishikawa 9231292, Japan

[2] Hanoi Univ Sci, Fac Phys, Hanoi, Vietnam

来源：

COMPUTATIONAL MATERIALS SCIENCE | 2008年 / 44卷 / 01期

关键词：

Platinum nano-cluster; Carbon nanotube; First-principles calculation;

D O I：

10.1016/j.commatsci.2008.01.061

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

A first-principles electronic structure calculation is performed to explore stability and electronic structure of Pt-13 cluster adsorbed on carbon supports. The stability of Pt-13 cluster on carbon nanotube supports has enhanced significantly, compared with that on graphene support. Charge re-distribution among Pt atoms takes place. Electronic structure of carbon supported-Pt cluster exhibits metallic characteristics, similar to a Pt metal surface. (c) 2008 Elsevier B.V. All rights reserved.

引用

页码：163 / 166

页数：4

共 24 条

[1] GENERALIZED SEPARABLE POTENTIALS FOR ELECTRONIC-STRUCTURE CALCULATIONS [J].

BLOCHL, PE .

PHYSICAL REVIEW B, 1990, 41 (08) :5414-5416

[2] Electronic structures of Pt clusters adsorbed on (5,5) single wall carbon nanotube [J].

Chi, Dam Hieu ;

Cuong, Nguyen Thanh ;

Tuan, Nguyen Anh ;

Kim, Yong-Tae ;

Bao, Ho Tu ;

Mitani, Tadaoki ;

Ozaki, Taisuke ;

Nagao, Hidemi .

CHEMICAL PHYSICS LETTERS, 2006, 432 (1-3) :213-217

[3] Carbon nanotubes with Pt-Ru catalyst for methanol fuel cell [J].

Frackowiak, E ;

Lota, G ;

Cacciaguerra, T ;

Béguin, F .

ELECTROCHEMISTRY COMMUNICATIONS, 2006, 8 (01) :129-132

[4] Structural, electronic, and impurity-doping effects in nanoscale chemistry:: Supported gold nanoclusters [J].

Häkkinen, H ;

Abbet, W ;

Sanchez, A ;

Heiz, U ;

Landman, U .

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2003, 42 (11) :1297-1300

[5] CO chemisorption at metal surfaces and overlayers [J].

Hammer, B ;

Morikawa, Y ;

Norskov, JK .

PHYSICAL REVIEW LETTERS, 1996, 76 (12) :2141-2144

[6] Numerical atomic orbitals for linear-scaling calculations -: art. no. 235111 [J].

Junquera, J ;

Paz, O ;

Sánchez-Portal, D ;

Artacho, E .

PHYSICAL REVIEW B, 2001, 64 (23)

[7] Fine size control of platinum on carbon nanotubes: From single atoms to clusters [J].

Kim, YT ;

Ohshima, K ;

Higashimine, K ;

Uruga, T ;

Takata, M ;

Suematsu, H ;

Mitani, T .

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2006, 45 (03) :407-411

[8] Highly dispersed Pt catalysts on single-walled carbon nanotubes and their role in methanol oxidation [J].

Kongkanand, Anusorn ;

Vinodgopal, K. ;

Kuwabata, Susumu ;

Kamat, Prashant V. .

JOURNAL OF PHYSICAL CHEMISTRY B, 2006, 110 (33) :16185-16188

[9] Curved Pi-conjugation, aromaticity, and the related chemistry of small fullerenes (<C60) and single-walled carbon nanotubes [J].

Lu, X ;

Chen, ZF .

CHEMICAL REVIEWS, 2005, 105 (10) :3643-3696

[10] Metal-nanotube interactions - binding energies and wetting properties [J].

Maiti, A ;

Ricca, A .

CHEMICAL PHYSICS LETTERS, 2004, 395 (1-3) :7-11

← 1 2 3 →