Related papers: Cooperation and competition between magnetism and …
Our ab initio calculations of CO adsorption on several low and high miller index surfaces of Cu show that the adsorption energy increases as the coordination of the adsorption site decreases from 11 to 6, in qualitative agreement with…
We review a new theoretical approach to the kinetics of surfactant adsorption at fluid-fluid interfaces. It yields a more complete description of the kinetics both in the aqueous solution and at the interface, deriving all equations from a…
We present an algorithm for accelerating the search of molecule's adsorption site based on global optimization of surface adsorbate geometries. Our approach uses a machine-learning interatomic potential (moment tensor potential) to…
Adsorption is a relevant process in many fields, such as product manufacturing or pollution remediation in porous materials. Adsorption takes place at the molecular scale, amenable to be modeled by Lagrangian numerical methods. We have…
Adsorption of polymers to surfaces is crucial for understanding many fundamental processes in nature. Recent experimental studies indicate that the adsorption dynamics is dominated by non-equilibrium effects. We investigate the adsorption…
In this paper, we evaluate of the adsorption/ desorption of ammonia molecules on a graphene surface by studying the Fermi level shift. Based on a physically plausible model, the adsorption and desorption rates of ammonia molecules on…
Abstract We study the temperature dependence of the absorption of microwaves by random-anisotropy magnets. It is governed by strong metastability due to the broad distribution of energy barriers separating different spin configurations. At…
The description of the chemical bond between a solid surface and an atom or a molecule is the fundamental basis for understanding a broad range of scientific problems in heterogeneous catalysis, semiconductor device fabrication, and fuel…
The adsorption of hydrogen on the polar Zn-ended ZnO(0001) surface has been investigated by density functional {\it ab-initio} calculations. An on top H(1x1) ordered overlayer with genuine H-Zn chemical bonds is shown to be energetically…
Almost 20% of the ~ 200 different species detected in the interstellar and circumstellar media present a carbon atom linked to nitrogen by a triple bond. Among these 37 molecules, 30 are nitrile R-CN compounds, the remaining seven belonging…
Both experimental and theoretical studies of the magnetic properties of micrographite and nanographite indicate a crucial role of the partial oxidation of graphitic zigzag edges in ferromagnetism. In contrast to total and partial…
X-ray photoemission and x-ray absorption spectroscopy are important techniques to characterize chemical bonding at surfaces and are often used to identify the strength and nature of adsorbate-substrate interactions. In this study, we judge…
In this talk it is shown a way for constructing magnetic surface sources for stationary axisymmetric electrovac spacetimes possessing a non-smooth electromagnetic Ernst potential. The magnetic moment density is related to this lack of…
Magnetic order and microwave absorption in amorphous ferromagnets and materials sintered from nanoscale ferromagnetic grains are investigated analytically and numerically within the random-anisotropy model. We show that a scaling argument…
We study ferromagnetism at high density of neutrons in the QCD hadron phase, by using the simplest chiral effective model incorporating magnetic fields and the chiral anomaly. Under the assumption of spatial homogeneity, we calculate the…
The desorption characteristics of molecules on interstellar dust grains are important for modelling the behaviour of molecules in icy mantles and, critically, in describing the solid-gas interface. In this study, a series of laboratory…
We use a density functional approach to calculate the contact angle of the water model on a heterogeneous, graphite-like surface. The surface heterogeneity results from the pre-adsorption of a layer of spherical species. The pre-adsorbed…
We consider the adsorption of a random heteropolymer onto an interface within the model by Garel et al. [1] by taking into account self-interactions between the monomers. Within the replica trick and by using a self-consistent preaveraging…
We report an alternative mechanism for the physical origin of the temperature-dependent ferromagnetic relaxation of Permalloy (NiFe) thin films. Through spin-pumping experiments, we demonstrate that the peak in the temperature-dependence of…
We consider the response of the density of a fermion ensemble to an applied weak static magnetic field. It is known that for non-interacting Fermi gas, this response is fully characterized by the Fermi volume and the Berry curvature on the…