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Mostrando ítems 31-40 de 482
Propriedades magnéticas em filmes finos de MoS2 produzidos pelo método de esfoliação em solvente
(Universidade Federal de São CarlosUFSCarPrograma de Pós-Graduação em Física - PPGFCâmpus São Carlos, 2020-09-28)
In this work, thin films of molybdenum disulfide 2D (MoS2) were prepared at different temperatures (15, 25, 30 and 45 ° C) using the solvent exfoliation method. This process produces changes in the morphology and structure ...
Dynamics of N2 sticking on W(100): The decisive role of van der Waals interactions
(Royal Society of Chemistry, 2018-07)
The reactive dynamics of N2 on W(100) has been investigated by means of quasi-classical trajectory calculations using an interpolated six-dimensional potential energy surface (PES) based on density functional theory energies ...
The role of small separation interactions in ferrofluid structure
(2022-02-20)
Interparticle interactions in colloids are traditionally modeled by means of the DLVO theory, which includes van der Waals and electrical double layer (EDL) interactions However, the validity range limitations become ...
Topological States Ruled by Stacking Faults in Bi2Se3 and Bi2Te3.
(The American Physical SocietyMaryland, 2013-03)
Extended defects like stacking faults (SF) can originate topologically protected metallic
states in bulk topological insulators (TI). These induced topological states are a response to the weakening of the inter-layer van ...
A three component-based van der Waals surface vertically designed for biomolecular recognition enhancement
(2021-04-20)
Graphene-based vertical electrodes may have applications in biomolecular recognition for producing low-cost biodevices with high electronic conductivity. However, they are unsuitable for measuring small interfacial capacitance ...
Hematene: a 2D magnetic material in van der Waals or non-van der Waals heterostructures
(IOP PUBLISHING LTD, 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 ...
Ab initio molecular dynamics simulation of methanol and acetonitrile: the effect of van der Waals interactions
(Chemical Physics Letters, 2019)
Edge effects in bilayer graphene nanoribbons: Ab initio total-energy density functional theory calculations
(AMER PHYSICAL SOC, 2009)
We show that the ground state of zigzag bilayer graphene nanoribbons is nonmagnetic. It also possesses a finite gap, which has a nonmonotonic dependence with the width as a consequence of the competition between bulk and ...
Noncovalent interactions in inorganic supramolecular chemistry based in heavy metals. Quantum chemistry point of view
(John Wiley and Sons Inc., 2018)
© 2018 Wiley Periodicals, Inc. Complexity is a concept that is being considered in chemistry as it has shown potential to reveal interesting phenomena. Thus, it is possible to study chemical phenomena in a new approach ...