Literature DB >> 16241672

Small Pd Clusters, up to the tetramer at least, are highly mobile on the MgO(100) surface.

Lijun Xu1, Graeme Henkelman, Charles T Campbell, Hannes Jónsson.   

Abstract

Density functional theory calculations predict that small clusters of Pd atoms, containing up to at least four atoms, are highly mobile on the MgO(100) surface with the tetramer having the largest diffusion rate at room temperature--larger than the monomer. Surface vacancies are found, however, to bind the larger clusters strongly enough to trap them. These are important considerations when analyzing the growth and sintering of metal islands on oxide surfaces, in particular, the role of point defects.

Entities:  

Year:  2005        PMID: 16241672     DOI: 10.1103/PhysRevLett.95.146103

Source DB:  PubMed          Journal:  Phys Rev Lett        ISSN: 0031-9007            Impact factor:   9.161


  3 in total

1.  Carbon monoxide-induced adatom sintering in a Pd-Fe3O4 model catalyst.

Authors:  Gareth S Parkinson; Zbynek Novotny; Giacomo Argentero; Michael Schmid; Jiří Pavelec; Rukan Kosak; Peter Blaha; Ulrike Diebold
Journal:  Nat Mater       Date:  2013-06-09       Impact factor: 43.841

2.  The Modulation Effect of MoS₂ Monolayers on the Nucleation and Growth of Pd Clusters: First-Principles Study.

Authors:  Ping Wu; Min Huang; Naiqiang Yin; Peng Li
Journal:  Nanomaterials (Basel)       Date:  2019-03-08       Impact factor: 5.076

Review 3.  Towards operando computational modeling in heterogeneous catalysis.

Authors:  Lukáš Grajciar; Christopher J Heard; Anton A Bondarenko; Mikhail V Polynski; Jittima Meeprasert; Evgeny A Pidko; Petr Nachtigall
Journal:  Chem Soc Rev       Date:  2018-11-12       Impact factor: 54.564

  3 in total

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