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Network dynamics in nanofilled polymers
(Nature Publishing, 2016-04-25)
It is well accepted that adding nanoparticles (NPs) to polymer melts can result in significant property improvements. Here we focus on the causes of mechanical reinforcement and present rheological measurements on favourably ...
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 ...
A redox-active radical as an effective nanoelectronic component: stability and electrochemical tunnelling spectroscopy in ionic liquids
(Royal Society of Chemistry, 2016-10-28)
A redox-active persistent perchlorotriphenylmethyl (PTM) radical chemically linked to gold exhibits stable electrochemical activity in ionic liquids. Electrochemical tunnelling spectroscopy in this medium demonstrates that ...
Quantifying electronic band interactions in van der Waals materials using angle-resolved reflected-electron spectroscopy
(Nature Publishing, 2016-11-29)
High electron mobility is one of graphene's key properties, exploited for applications and fundamental research alike. Highest mobility values are found in heterostructures of graphene and hexagonal boron nitride, which ...
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. ...
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 ...