Molecular adsorption of H2 on small cationic nickel clusters

Ingmar Swart; Philipp Gruene; André Fielicke; Gerard Meijer; Bert M. Weckhuysen; Frank M. F. de Groot

doi:10.1039/B807313A

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Molecular adsorption of H₂ on small cationic nickel clusters†‡

Ingmar Swart,^a Philipp Gruene,^b André Fielicke,*^b Gerard Meijer,^b Bert M. Weckhuysen^a and Frank M. F. de Groot*^a

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* Corresponding authors

^a Sorbonnelaan 16, Utrecht, The Netherlands
E-mail: F.M.F.deGroot@uu.nl
Fax: +31 (0)30 251 1027
Tel: +31 (0)30 253 7400

^b Faradayweg 4-6, Berlin, Germany
E-mail: fielicke@fhi-berlin.mpg.de
Fax: +49 (0)30 8413 5603
Tel: +49 (0)30 8413 5622

Abstract

An H₂ molecule can bind molecularly on Ni₄⁺ but it binds exclusively dissociatively on Ni₅⁺ and Ni₆⁺ and the adsorption behavior correlates with the relative reactivity of the metal clusters towards H₂.

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Supplementary files

Details of the calculations, energies, geometries and vibrational spectra of all calculated isomer PDF (7407K)

Article information

DOI: https://doi.org/10.1039/B807313A
Article type: Paper
Submitted: 29 Apr 2008
Accepted: 03 Jun 2008
First published: 01 Jul 2008

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Phys. Chem. Chem. Phys., 2008,10, 5743-5745

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Molecular adsorption of H₂ on small cationic nickel clusters

I. Swart, P. Gruene, A. Fielicke, G. Meijer, B. M. Weckhuysen and F. M. F. de Groot, Phys. Chem. Chem. Phys., 2008, 10, 5743 DOI: 10.1039/B807313A

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