Phase stability and transformations in NiTi from density functional theory calculations
نویسندگان
چکیده
منابع مشابه
NH3 sensors based on novel TiO2/MoS2 nanocomposites: Insights from density functional theory calculations
Density functional theory calculations were performed to investigate the interactions of NH3 molecules with TiO2/MoS2 nanocomposites in order to completely exploit the adsorption properties of these nanocomposites. Given the need to further comprehend the behavior of the NH3 molecules oriented between the TiO2 nanoparticle and MoS2 monolayer, we have geometrically optimized the complex systems ...
متن کاملNH3 sensors based on novel TiO2/MoS2 nanocomposites: Insights from density functional theory calculations
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ژورنال
عنوان ژورنال: Acta Materialia
سال: 2010
ISSN: 1359-6454
DOI: 10.1016/j.actamat.2009.09.019