Enrique Louis

Prof. Dr. Enrique Louis

Instituto Universitario de Materiales de Alicante, Departamento de Física Aplicada, Universidad de Alicante, Ap. 99, E-03080 Alicante, Spain

Research Focus & Metrics

Academic Career Length

24Years (2003-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

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1 May 2008 in Materials Science and Engineering: A
Verified
Journal Article
Closed access
José Miguel Molina JordáJosé Miguel Molina Jordá
José Miguel Molina Jordá
Javier NarcisoJavier Narciso
Javier Narciso
LWL. Weber
L. Weber
AMA. Mortensen
A. Mortensen
ELEnrique Louis
Enrique Louis

1 June 2017 in The Journal of Physical Chemistry Letters
Verified
Journal Article
Closed access
ELEnrique Louis
Enrique Louis
Emilio San-FabiánEmilio San-Fabián
Emilio San-Fabián
MDMaria A Diaz-Garcia
Maria A Diaz-Garcia
GCGuillermo Chiappe
Guillermo Chiappe
JVJ.A. Verges
J.A. Verges


14 February 2017 in Materials
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Journal Article
Open access
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José Miguel Molina JordáJosé Miguel Molina Jordá
José Miguel Molina Jordá
ARAlejandro Rodríguez-Guerrero
Alejandro Rodríguez-Guerrero
ELEnrique Louis
Enrique Louis
FRFrancisco Rodríguez-Reinoso
Francisco Rodríguez-Reinoso
Javier NarcisoJavier Narciso
Javier Narciso
The effect of porosity on the thermal conductivity and the coefficient of thermal expansion of composites obtained by infiltration of Al-12 wt % Si alloy into graphite particulate preforms has been determined. Highly irregular graphite particles were used to fabricate the preforms. The thermal conductivity of these composites gradually increases with the applied infiltration pressure given the inherent reduction in porosity. A simple application of the Hasselman-Johnson model in a two-step procedure (that accounts for the presence of both graphite particles and voids randomly dispersed in a metallic matrix) offers a good estimation of the experimental results. As concerns the coefficient of thermal expansion, the results show a slight increase with saturation being approximately in the range 14.6–15.2 × 10−6 K−1 for a saturation varying from 86% up to 100%. Results lie within the standard Hashin-Strikman bounds.

22 September 2016 in Chemphyschem
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Journal Article
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Albert GuijarroAlbert Guijarro
Albert Guijarro
JVJ.A. Verges
J.A. Verges
Emilio San-FabiánEmilio San-Fabián
Emilio San-Fabián
GCGuillermo Chiappe
Guillermo Chiappe
ELEnrique Louis
Enrique Louis

26 October 2015 in Journal of Physics: Condensed Matter
Verified
Journal Article
Closed access
PDF file
GCG Chiappe
G Chiappe
ELEnrique Louis
Enrique Louis
Emilio San-FabiánEmilio San-Fabián
Emilio San-Fabián
JVJ.A. Verges
J.A. Verges
Model Hamiltonians have been, and still are, a valuable tool for investigating the electronic structure of systems for which mean field theories work poorly. This review will concentrate on the application of Pariser–Parr–Pople (PPP) and Hubbard Hamiltonians to investigate some relevant properties of polycyclic aromatic hydrocarbons (PAH) and graphene. When presenting these two Hamiltonians we will resort to second quantisation which, although not the way chosen in its original proposal of the former, is much clearer. We will not attempt to be comprehensive, but rather our objective will be to try to provide the reader with information on what kinds of problems they will encounter and what tools they will need to solve them. One of the key issues concerning model Hamiltonians that will be treated in detail is the choice of model parameters. Although model Hamiltonians reduce the complexity of the original Hamiltonian, they cannot be solved in most cases exactly. So, we shall first consider the Hartree–Fock approximation, still the only tool for handling large systems, besides density functional theory (DFT) approaches. We proceed by discussing to what extent one may exactly solve model Hamiltonians and the Lanczos approach. We shall describe the configuration interaction (CI) method, a common technology in quantum chemistry but one rarely used to solve model Hamiltonians. In particular, we propose a variant of the Lanczos method, inspired by CI, that has the novelty of using as the seed of the Lanczos process a mean field (Hartree–Fock) determinant (the method will be named LCI). Two questions of interest related to model Hamiltonians will be discussed: (i) when including long-range interactions, how crucial is including in the Hamiltonian the electronic charge that compensates ion charges? (ii) Is it possible to reduce a Hamiltonian incorporating Coulomb interactions (PPP) to an ‘effective’ Hamiltonian including only on-site interactions (Hubbard)? The performance of CI will be checked on small molecules. The electronic structure of azulene and fused azulene will be used to illustrate several aspects of the method. As regards graphene, several questions will be considered: (i) paramagnetic versus antiferromagnetic solutions, (ii) forbidden gap versus dot size, (iii) graphene nano-ribbons, and (iv) optical properties.