The interaction of trimethyl methylcyclopentadienyl platinum (MeCpPtMe 3) with a fully
hydroxylated SiO 2 surface has been explored by means of ab initio calculations. A large …

We perform first-principles calculations and coherent laser-matter interaction analyses to
investigate the laser-induced ultrafast spin flip on graphene nanoflakes (GNFs) with …

Self-assembled monolayers containing conjugated π systems find application in organic
electronics to functionalize and modify the electronic properties of metals and metal oxides …

Thin films provide a remarkable asset, as depositing a thin surface layer can completely alter
a material's characteristics and provide new, inexpensive, and valuable properties. In 2020 …

In the present work, the Atom Superposition and Electron Delocalization method has been
applied in order to study the adsorption of cis-oleic acid on Ni (111) surface. This molecule …

The cyclopentene (c-C5H8) dehydrogenation to cyclopentadienyl anion (c-C5H5−) on Ni
(111) is studied using density functional theory (DFT) calculations. The Ni (111) surface was …

The aim of the present thesis is to extend the range of application of the helium-3 spin-echo
(HeSE) technique to complex surface dynamical systems. A twofold approach is presented …

En el presente trabajo se utiliza el método de Superposición Atómica y Deslocalización
Electrónica con el fin de estudiar la adsorción del ácido oleico en la superficie Ni (111). Esta …

Spin current in π-cyclopentadienyl (Cp) complexes of the main group elements have been
studied by the first-principles method of density functional theory. The characteristics of spin …

Unsaturated fatty acids have great interest by their activities as industrial materials in novel
applications. In the present work, the cis‐3‐hexenoic acid (HA) adsorbed on the Ni (111) …