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Electronic Origin of the Surface Reactivity of Transition-Metal-Doped TiO 2(110)

Authors: 
Mónica García-Mota, Aleksandra Vojvodic, Frank Abild-Pedersen, Jens K. Nørskov
Year of publication: 
2013
Journal: 
The Journal of Physical Chemistry C
DOI: 
10.1021/jp310667r

... Digital Object Identifier (DOI). ... of the d-projected surface and resonance states (ε d SS ) in the selected energy region E F – 3 eV < E < E F + 0.8 ... one can tailor the surface reactivity of TiO 2 by transition - metal substitution based on the knowledge of the surface electronic structure. ...

Research Areas: 
Theoretical method development, Adsorption models, Descriptors