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Now showing items 21-30 of 3192
Nanotubes for charge storage - Towards an atomistic model
(Pergamon-Elsevier Science Ltd, 2015-04)
We examine the insertion of alkali and halide ions into narrow nanotubes of graphite and gold by density functional theory (DFT). For tubes with diameters less than about 10 Åthe optimum position of the ion is in the center ...
Some Electronic Correlation Effects in the Topological Analysis of the Laplacian of the Electronic Charge Density in C-n-Butonium Cations
(American Chemical Society, 2005-01)
In this work, we present a topological study of the Laplacian of the electronic density using a 6-311++G** basis set, at Hartree-Fock (HF) and second-order Møller-Plesset (MP2) (full-electron and frozen-core) levels of ...
Interplay of charge density and relative humidity on the structure of nitrate layered double hydroxides
(American Chemical Society, 2010-10)
The structure of several crystalline Ni(II)-Al(III) and Mg(II)-Al(III) layered double hydroxides (LDHs) intercalated with nitrate anions was studied as a function of the relative humidity. For low charge density LDHs, the ...
Coexistência de supercondutividade e charge density wave em um regime correlacionado
(Universidade Federal de Santa MariaBrasilFísicaUFSMPrograma de Pós-Graduação em FísicaCentro de Ciências Naturais e Exatas, 2021-04-28)
The strongly correlated electron systems raise the interest of researchers from different
areas. However, one of the main categories of those are the unconventional superconductors,
also known as high-Tc superconductors. ...
Modulation of charge-density waves by superlattice structures
(Amer Physical Soc, 2006-05-01)
We discuss the interplay between electronic correlations and an underlying superlattice structure in determining the period of charge density waves (CDW's), by considering a one-dimensional Hubbard model with a repeated ...
Modulation of charge-density waves by superlattice structures
(Amer Physical Soc, 2006-05-01)
We discuss the interplay between electronic correlations and an underlying superlattice structure in determining the period of charge density waves (CDW's), by considering a one-dimensional Hubbard model with a repeated ...
Modulation of charge-density waves by superlattice structures
(2006-05-31)
We discuss the interplay between electronic correlations and an underlying superlattice structure in determining the period of charge density waves (CDW's), by considering a one-dimensional Hubbard model with a repeated ...