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Hematene: a 2D magnetic material in van der Waals or non-van der Waals heterostructures
(2019)
In this article, we study theoretically the properties of hematene, a new antiferromagnetic 2D material exfoliated from hematite. Hematene is not a van-der Waals material, but it can still be obtained by liquid exfoliation ...
Retención de hidrocarburos saturados en asfaltenos. evidencias que soportan la adsorción
(REDIP. UNEXPO. VRB. Venezuela. 4 (1) 548-567., 2015)
General adsorption model for H2S, H2Se, H2Te, NH3, PH3, AsH3 and SbH3 on the V2O5(0 0 1) surface including the van der Waals interaction
(Elsevier Science, 2019-04)
Density functional theory, including the van der Waals interaction, has been used to study the interaction between some small molecules with lone pairs and the V2O5(0 0 1) surface. Results reveal that the naked vanadium ...
The van der Waals Interactions of n-Alkanethiol-Covered Surfaces: From Planar to Curved Surfaces
(Wiley VCH Verlag, 2017-12)
The van der Waals (vdW) interactions of n-alkanethiols (ATs) adsorbed on planar Au(111) and Au(100) surfaces and curved Au nanoparticles of different diameters are reported. By means of electrochemical measurements and ...
Simulación en interacciones de tipo Van der Waals en sistemas moleculares
(Escuela Superior Politécnica de Chimborazo, 2021-03-02)
This research project consists of simulating Van der Waals-type interactions in noble gas molecular systems: He, Ne, Ar, Kr, and Xe, to corroborate physical properties such as distance between the closest neighbors and the ...
Transition from van der waals to h bond dominated interaction in n-propanol physisorbed on graphite
(AMER PHYSICAL SOC, 2011)
Transition from van der waals to h bond dominated interaction in n-propanol physisorbed on graphite
(AMER PHYSICAL SOC, 2011)
Transition from van der waals to h bond dominated interaction in n-propanol physisorbed on graphite
(AMERICAN PHYSICAL SOCIETY, 2011)
H2O and CO2 Confined in Cement based Materials: An Ab Initio Molecular Dynamics study with van der Waals Interactions.
(The American Physical SocietyMaryland, 2013-03)
Although the cement has been widely used for a long time, very little is known regarding the atomistic mechanism behind its functionality. Particularly, the dynamics of molecular systems at confined nanoporous and water ...