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Van der Waals density functional from multipole dispersion interactions
(AIP Publishing, 2010-01-06)
Van der Waals interactions in the self-assembly of 5-amino[6]helicene on Cu(100) and Au(111)
(Royal Society of Chemistry, 2014-09-22)
A combination of Scanning Tunnelling Microscopy and Density Functional
Theory simulations highlights the role of van der Waals interactions in
the self-assembly of an aminohelicene on Cu(100) and Au(111).
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 ...
On the performance of van der Waals corrected-density functional theory in describing the atomic hydrogen physisorption on graphite
(Elsevier Science, 2010-11)
The atomic hydrogen physisorption on graphite was studied using the hydrogen-coronene model system and the van der Waals corrected-density functional theory (DFT + vdW). The results show that H preferentially occupies the ...
Perfis verticais da densidade e da temperatura em uma atmosfera de Van der Waals na região metropolitana de Natal-RN, Brasil
(Instituto Federal de Educação, Ciência e Tecnologia do Rio Grande do Norte, 2019-12-23)
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 ...
Estudo das interações de Van der Waals no contexto da Teoria do Funcional da densidade e aplicações em nanoestruturas
(Universidade Federal de Minas GeraisUFMG, 2009-08-11)
The dispersion term in van der Waals interaction is a manifestation of electronic correlation energy, and it is fundamental in the description of several physical systems. In spite of the exact solution of Density Functional ...
Van der Waals effects in GIFAD for light atoms on insulating surfaces
(IOP Publishing, 2017-08)
We theoretically address grazing incidence fast atom diffraction (GIFAD) for light atoms on insulating alkali-halide surfaces. We combine a description of the projectile-surface interaction obtained from density functional ...
A DFT+U study of H2O adsorption on the V2O5(0 0 1) surface including van der Waals interactions
(Elsevier Science, 2019-09)
Water adsorption on the V2O5(0 0 1) surface has been studied using density functional theory including van der Waals interactions (London dispersion interactions). Results reveal that molecular adsorption takes place via ...