Band edges positions prediction of the of Ag nanocluster-decorated titania surfaces and their relationship to NO and NO2 interaction from first-principles calculations
Morgade, Cecilia I.N., Schvval, Ana B., García, Griselda, Cabeza, Gabriela F.
Published in Journal of molecular graphics & modelling (01.11.2023)
Published in Journal of molecular graphics & modelling (01.11.2023)
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Journal Article
Synergetic interplay between metal (Pt) and nonmetal (C) species in codoped TiO 2 : A DFT+U study
Morgade, Cecilia I.N., Cabeza, Gabriela F.
Published in Computational materials science (01.01.2016)
Published in Computational materials science (01.01.2016)
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Journal Article
Synthesis and Theoretical–Experimental Characterization of BiOBr: The Role of Oxygen and Halide Vacancies on the Optoelectric Properties of this Bismuth Oxyhalide
Morgade, Cecilia I. N., Schvval, Ana B., Fuente, Silvia A., Durán-Álvarez, Juan C., Buono, Camila, Desimone, P. Mariela, Aldao, Celso M., Cabeza, Gabriela F.
Published in Topics in catalysis (2022)
Published in Topics in catalysis (2022)
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Journal Article