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Sistemas bidimensionais formados por silício e germânio: um estudo de primeiros princípios
(Universidade Federal de Santa Maria, 2015-07-14)
First principles calculations within the density functional theory have been used to
study the main structural, energetic, electronic, and optical properties of hydrogenated Si
and Ge in the 2D structures (silicane and ...
Estudo de primeiros princípios de propriedades fotofísicas de macrociclos tetrapirrólicos
(Universidade Federal de Santa Maria, 2018-08-03)
Tetrapyrrolic macrocycles are very well known photosensitive molecules, absorbing in
the visible and ultra-violet (UV-vis) light range. Their efficiency in optical processes as
well as the possibility of tuning their ...
Estudo computacional de monocamadas de C, Si, Ge e suas ligas binárias
(Universidade Federal de Santa Maria, 2022-12-12)
Whitin the framework of the density funcional theory, we performed first principles calculations
on the main properties (geometry and electronic) of group IV monolayers. The first studied
system was the presence of carbon ...
Condutividade térmica de compostos XTe (X=Cd,Pb) nanoestruturados a partir de simulações computacionais
(Universidade Federal de Santa Maria, 2018-11-28)
In this work we study the thermal conductivity coefficient κ of bidimensional nanostructured systems
of cadmium telluride (CdTe) and lead telluride (PbTe). At room temperature and bulk phase, these
compounds present ...