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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 ...
Elementary reactive processes of nitrogen and hydrogen on metal surfaces: A theoretical study
(2016-12-16)
We present a theoretical study of elementary reaction take place at solid surfaces. Calculations based on density functional theory (DFT) were performed to obtain the minimum energy structure of the Fe(111) surface as well ...
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. ...
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 and transport properties of 2D Dirac materials: graphene and topological insulators.
(2018-07-20)
This thesis presents a set of contributions to the field of 2D Dirac materials, which have emerged as promising candidates for future nanoelectronics. The electronic and transport properties of various graphene-based ...
Nonequilibrium dynamics and molecular mobility in polymer glasses: from bulk to 3-D confinement
(2018-05-25)
El objetivo general de éste trabajo es alcanzar una comprensión profunda de los procesos cinéticos y termodinámicos que influyen en la transición vítrea de materiales amorfos basados en polímeros. La ciencia en el estado ...
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 description of low-energy excitations in nanostructures as probed by fast electrons
(2019-05-17)
En esta tesis, se describe teóricamente cómo los haces de electrones rápidos enfocados interactúan con excitaciones de baja energía de interés en el campo de la nanofotónica: fonones ópticos, vibraciones moleculares, ...
Magnetic properties of Co on different environments
(2019-11-04)
We combine density functional theory (DFT) calculations and a multiorbital many-body Hamiltonian approach to shed light on magnetic properties of Co adsorbed on h-BN depending on the adsorption site. These methods reveal ...
Charge and spin transport in graphene devices
(2015-06-05)
El grafeno es una capa bidimensional (2D) de átomos de carbono conectadospor enlaces ¿¿¿¿2. Electrónicamente el grafeno es un semi-metal sin bandaprohibida con una relación de dispersión lineal para bajas densidades ...