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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 ...
Properties of Metal–Organic Coordination Networks Based on 3d Transition Metal Atoms
(MDPI, 2018-04)
The magnetic anisotropy and exchange coupling between spins localized at the positions of 3d transition metal atoms forming two-dimensional metal-organic coordination networks (MOCNs) grown on a Au(111) metal surface are ...
Single Chiral Skyrmions in Ultrathin Magnetic Films
(MDPI, 2018-11-11)
The stability and sizes of chiral skyrmions in ultrathin magnetic films are calculated accounting for the isotropic exchange, Dzyaloshinskii-Moriya exchange interaction (DMI), and out-of-plane magnetic anisotropy within ...
Modification of a Shockley-Type Surface State on Pt(111) upon Deposition of Gold Thin Layers
(MDPI, 2018-12-17)
We present a first-principles fully-relativistic study of surface and interface states in the n one monolayer (ML) Au/Pt(111) heterostructures. The modification of an unoccupied s - p -type surface state existing on a ...
The C Terminus of the Ribosomal-Associated Protein LrtA Is an Intrinsically Disordered Oligomer
(MDPI, 2018-12-05)
The 191-residue-long LrtA protein of Synechocystis sp. PCC 6803 is involved in post-stress survival and in stabilizing 70S ribosomal particles. It belongs to the hibernating promoting factor (HPF) family, intervening in ...
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 ...
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 ...
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 ...
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 ...