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
收藏
页码：163 / 166
页数：4
相关论文
共 24 条
  • [1] GENERALIZED SEPARABLE POTENTIALS FOR ELECTRONIC-STRUCTURE CALCULATIONS
    BLOCHL, PE
    [J]. PHYSICAL REVIEW B, 1990, 41 (08): : 5414 - 5416
  • [2] Electronic structures of Pt clusters adsorbed on (5,5) single wall carbon nanotube
    Chi, Dam Hieu
    Cuong, Nguyen Thanh
    Tuan, Nguyen Anh
    Kim, Yong-Tae
    Bao, Ho Tu
    Mitani, Tadaoki
    Ozaki, Taisuke
    Nagao, Hidemi
    [J]. CHEMICAL PHYSICS LETTERS, 2006, 432 (1-3) : 213 - 217
  • [3] Carbon nanotubes with Pt-Ru catalyst for methanol fuel cell
    Frackowiak, E
    Lota, G
    Cacciaguerra, T
    Béguin, F
    [J]. ELECTROCHEMISTRY COMMUNICATIONS, 2006, 8 (01) : 129 - 132
  • [4] Structural, electronic, and impurity-doping effects in nanoscale chemistry:: Supported gold nanoclusters
    Häkkinen, H
    Abbet, W
    Sanchez, A
    Heiz, U
    Landman, U
    [J]. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2003, 42 (11) : 1297 - 1300
  • [5] CO chemisorption at metal surfaces and overlayers
    Hammer, B
    Morikawa, Y
    Norskov, JK
    [J]. PHYSICAL REVIEW LETTERS, 1996, 76 (12) : 2141 - 2144
  • [6] Numerical atomic orbitals for linear-scaling calculations -: art. no. 235111
    Junquera, J
    Paz, O
    Sánchez-Portal, D
    Artacho, E
    [J]. PHYSICAL REVIEW B, 2001, 64 (23)
  • [7] Fine size control of platinum on carbon nanotubes: From single atoms to clusters
    Kim, YT
    Ohshima, K
    Higashimine, K
    Uruga, T
    Takata, M
    Suematsu, H
    Mitani, T
    [J]. 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
    Kongkanand, Anusorn
    Vinodgopal, K.
    Kuwabata, Susumu
    Kamat, Prashant V.
    [J]. 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
    Lu, X
    Chen, ZF
    [J]. CHEMICAL REVIEWS, 2005, 105 (10) : 3643 - 3696
  • [10] Metal-nanotube interactions - binding energies and wetting properties
    Maiti, A
    Ricca, A
    [J]. CHEMICAL PHYSICS LETTERS, 2004, 395 (1-3) : 7 - 11
123