Publications Archive

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Al- and Ga-Doped TiO2, ZrO2, and HfO2: The Nature of O 2p Trapped Holes from a Combined Electron Paramagnetic Resonance (EPR) and Density Functional Theory (DFT) Study

C. Gionco, S. Livraghi, S. Maurelli, E. Giamello, S. Tosoni, C. Di Valentin, and G. Pacchioni, Chem. Mater. 27, 3936 (2015).

Probing the local electronic structure of the cross-linked (1×2) reconstruction of rutile TiO2(110)

C. M. Yim, C. L. Pang, and G. Thornton, Surf. Sci. 650, 71 (2015).

The Interaction of Cobalt with CeO2(111) Prepared on Cu(111)

G. Vári, L. Óvári, C. Papp, H.-P. Steinrück, J. Kiss, and Z. Kónya, J. Phys. Chem. C 119, 9324 (2015).

The structure and stability of reduced and oxidized mononuclear platinum species on nanostructured ceria from density functional modeling

H. A. Aleksandrov, K. M. Neyman, and G. N. Vayssilov, Phys. Chem. Chem. Phys. 17, 14551 (2015).

Stoichiometry engineering of ternary oxide ultrathin films: BaxTi2O3 on Au(111)

C. Wu, M. R. Castell, J. Goniakowski, and C. Noguera, Phys. Rev. B 91, 155424 (2015).

Characterization of thin CeO2 films electrochemically deposited on HOPG

F. Faisal, A. Toghan, I. Khalakhan, M. Vorokhta, V. Matolin, and J. Libuda, Appl. Surf. Sci. 350, 142 (2015).

Promoted ceria catalysts for alkyne semi-hydrogenation

G. Vile, P. Dähler, J. Vecchietti, M. A. Baltanás, S. Collins, M. Calatayud, A. Bonivardi, J. Perez-Ramirez, J. Catal. 324, 69 (2015).

First principles modeling of electron tunneling between defects in m-HfO2

K. P. McKenna and J. Blumberger, Microel. Eng. 147, 235 (2015).