Density functional studies of model cerium oxide nanoparticles†
Abstract
Density functional plane-wave calculations have been performed to investigate a series of ceria
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* Corresponding authors
a
Departament de Química Física and Institut de Química Teòrica i Computacional (IQTCUB), Universitat de Barcelona, Barcelona, Spain
E-mail:
konstantin.neyman@icrea.es
Fax: +34-93-4021231
b Institut de Química Computacional, Universitat de Girona, Girona, Spain
c Institució Catalana de Recerca i Estudis Avançats (ICREA), Barcelona, Spain
Density functional plane-wave calculations have been performed to investigate a series of ceria
C. Loschen, A. Migani, S. T. Bromley, F. Illas and K. M. Neyman, Phys. Chem. Chem. Phys., 2008, 10, 5730 DOI: 10.1039/B805904G
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