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Insight into the Adsorption of Water on the Clean CeO2(111) Surface with van der Waals and Hybrid Density Functionals

Delia Fernandez-Torre , Krzysztof Kosmider , Javier Carrasco Rodríguez, María Verónica Ganduglia Pirovano, Ruben Perez
Journal of Physical Chemistry C
Understanding the interaction between water and ceria the surfaces is ...

A molecular perspective of water at metal interfaces

Javier Carrasco Rodríguez, Andrew Hodgson , Angelos Michaelides
Nature Materials
Water/solid interfaces are relevant to a broad range of physicochemica...

Nanoscale thermal stabilization via permutational premelting

Francesc Vines , Javier Carrasco Rodríguez, Stefan T. Bromley
Physical Review B
Anomalous higher-than-bulk melting in some metal clusters has been pre...

Periodic Density Functional Theory Study of VO(n) Species Supported on the CeO(2)(111) Surface

Cristina Popa , María Verónica Ganduglia Pirovano, J. Sauer
Journal of Physical Chemistry C
We model monomeric vanadia adspecies on the CeO(2)(111) surface of c...

Electron Localization in Defective Ceria Films: A Study with Scanning-Tunneling Microscopy and Density-Functional Theory

Jan-Frederik Jerratsch , Xiang Shao , Niklas Nilius , H.-J. Freund , Cristina Popa , María Verónica Ganduglia Pirovano, Asbjoern M. Burow , J. Sauer
Physical Review Letters
Scanning-tunneling microscopy and density-functional theory have been ...
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