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Ald processes development for hybrid nanodevices-like nanostructures
(2017-09-12)
The development of new and innovative atomic structures displaying multifunctional properties goes together with progress in advanced processes which enable atomic level control. One leading deposition technique is Atomic ...
Formation of Surface and Quantum-Well States in Ultra Thin Pt Films on the Au(111) Surface
(MDPI, 2017-12-09)
The electronic structure of the Pt/Au(111) heterostructures with a number of Pt monolayers n ranging from one to three is studied in the density-functional-theory framework. The calculations demonstrate that the deposition ...
Ab-initio theoretical study of electronic excitations and optical properties in nanostructures
(2017-07-21)
La miniaturización de los dispositivos electrónicos para la transferencia de información y procesado de señales ha impulsado el estudio de las propiedades electrónicas y la dinámica de excitaciones electrónicas en ...
Theoretical simulations of nanoconfined water
(2017-06-05)
El objetivo de esta tesis es el estudio de las propiedades del agua bidimensional por simulacionescomputacionales. Lo hacemos basándonos en dinámica molecular utilizando potenciales empíricos ycálculos de primeros principios. ...
Creating stable Floquet–Weyl semimetals by laser-driving of 3D Dirac materials
(Nature Publishing, 2017-01-17)
Tuning and stabilizing topological states, such as Weyl semimetals, Dirac semimetals or topological insulators, is emerging as one of the major topics in materials science. Periodic driving of many-body systems offers a ...
Ullmann coupling reaction in unconventional surfaces
(2017-07-14)
En el presente trabajo estudiamos el crecimiento de nano-estructuras de grafeno (GNR) mediante la reacción de Ullmann en superficies tecnológicamente relevantes.Desde su redescubrimiento allá por el año 2004, el grafeno ...
Electronic non-adiabatic dynamics in enhanced ionization of isotopologues of hydrogen molecular ions from the exact factorization perspective
(Royal Society of Chemistry, 2017-03-28)
It was recently shown that the exact potential driving the electron's dynamics in enhanced ionization of H-2(+) can have large contributions arising from dynamic electron-nuclear correlation, going beyond what any ...
Infrared nanospectroscopy and hyperspectral nanoimaging of organic matter
(2017-07-12)
Infrared (IR) spectroscopy is a highly valuable tool for materials characterization in widely different fields, ranging from polymer sciences to biomedical imaging. However, the diffraction limit prevents nanoscale infrared ...
Theoretical characterization in the functionalization and design of low dimensional systems: carbon transition metal nanostructures and phosphorene isoelectronic compounds
(2017-06-30)
El trabajo de esta tesis consiste en el estudio teórico mediante cálculos computacionalesbasados en la teoría del funcional de la densidad (DFT) de las propiedades electrónicas ymagnéticas de nanomateriales. Dentro de los ...
Modeling linear and non-linear light-matter interactions: from classical to atomistic nanoplasmonics
(2017-09-04)
In the last years, nanoplasmonics has become an important research field in the realm of light-matterinteractions due to the wide range of applications. Driven by the interaction of electromagnetic radiationon nanostructures, ...