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Fernando Flores

Bio: Fernando Flores is an academic researcher from Autonomous University of Madrid. The author has contributed to research in topics: Scanning tunneling microscope & Schottky barrier. The author has an hindex of 48, co-authored 378 publications receiving 9785 citations. Previous affiliations of Fernando Flores include Complutense University of Madrid & Spanish National Research Council.


Papers
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Proceedings ArticleDOI
26 Oct 1994
TL;DR: In this article, a brief review of the theoretical state of the art in the field of semiconductor interfaces is presented; it is shown that the important factor controlling the different semiconductor barrier heights is the density of states associated with the semiconductor dangling-bonds.
Abstract: A brief review of the theoretical state of the art in the field of semiconductor interfaces is presented. Itis shown that the important factor controlling the different semiconductor barrier heights is the densityof states associated with the semiconductor dangling-bonds. Passivated semiconductor surfaces presentsaturated dangling-bonds and have modified barrier heights. Results for hydrogen-passivated GaAs(11O)-surfaces are presented; it is shown that the Schottky-barrier height formed by the deposition of a K-layeris sustantially changed by the hydrogen-passivation. 1 INTRODUCTION Interfaces of crystalline materials are at the heart of different devices, and their understanding is basic toan appropriate design of many microelectronic systems. In this regard, semiconductors and their interfaceswith other semiconductors or metals have received the major attention1 , and we shall concentrate ourdiscussion in this paper on analyzing their basic electronic properties and their relation to the formationof different barriers.There are, basically, two kinds of semiconductor contacts: metal- semiconductor2'3 and semiconductor-semiconductor interfaces4. A great deal of the recent research in this field has been addressed to under-standing how their different barrier heights depend on the properties of the crystals forming the contact5.Fig.1 shows the main parameters defining each barrier: (a) for a metal semiconductor interface,

462 citations

Journal ArticleDOI
TL;DR: In this work, consecutive Ar+ irradiation doses are applied to single-walled nanotubes (SWNTs) producing a uniform density of defects producing an exponential dependence of R(L) indicating that the system is within the strong Anderson localization regime.
Abstract: Carbon nanotubes1,2 are a good realization of one-dimensional crystals where basic science and potential nanodevice applications merge3. Defects are known to modify the electrical resistance of carbon nanotubes4; they can be present in as-grown carbon nanotubes, but controlling their density externally opens a path towards the tuning of the electronic characteristics of the nanotube. In this work, consecutive Ar+ irradiation doses are applied to single-walled nanotubes (SWNTs) producing a uniform density of defects. After each dose, the room-temperature resistance versus SWNT length (R(L)) along the nanotube is measured. Our data show an exponential dependence of R(L) indicating that the system is within the strong Anderson localization regime. Theoretical simulations demonstrate that mainly di-vacancies contribute to the resistance increase induced by irradiation, and that just a 0.03% of di-vacancies produces an increase of three orders of magnitude in the resistance of a SWNT of 400 nm length.

359 citations

Journal ArticleDOI
TL;DR: In this article, consecutive Ar+ irradiation doses are applied to single-walled carbon nanotubes (SWNTs) producing a uniform density of defects, and after each dose, the room temperature resistance versus SWNT-length along the nanotube is measured.
Abstract: Carbon nanotubes are a good realization of one-dimensional crystals where basic science and potential nanodevice applications merge. Defects are known to modify the electrical resistance of carbon nanotubes. They can be present in as-grown carbon nanotubes, but controlling externally their density opens a path towards the tuning of the nanotube electronic characteristics. In this work consecutive Ar+ irradiation doses are applied to single-walled nanotubes (SWNTs) producing a uniform density of defects. After each dose, the room temperature resistance versus SWNT-length [R(L)] along the nanotube is measured. Our data show an exponential dependence of R(L) indicating that the system is within the strong Anderson localization regime. Theoretical simulations demonstrate that mainly di-vacancies contribute to the resistance increase induced by irradiation and that just a 0.03% of di-vacancies produces an increase of three orders of magnitude in the resistance of a 400 nm SWNT length.

314 citations

Journal ArticleDOI
TL;DR: In this article, the authors present a mechanism that explains the energy-level alignment at organic-organic (OO) semiconductor heterojunctions, which is driven by the alignment of the charge neutrality level (CNL) of the two organic semiconductors.
Abstract: We present a mechanism that explains the energy-level alignment at organic-organic (OO) semiconductor heterojunctions. Following our work on metal/organic interfaces, we extend the concepts of charge neutrality level (CNL) and induced density of interface states to OO interfaces, and propose that the energy-level alignment is driven by the alignment of the CNLs of the two organic semiconductors. The initial offset between the CNLs gives rise to a charge transfer across the interface, which induces an interface dipole and tends to align the CNLs. The initial CNL difference is reduced according to the screening factor $S$, a quantity related to the dielectric functions of the organic materials. Good quantitative agreement with experiment is found. Our model thus provides a simple and intuitive, yet general, explanation of the energy-level alignment at organic semiconductor heterojunctions.

260 citations

Journal ArticleDOI
01 Mar 2004-EPL
TL;DR: In this paper, the formation of a metal/PTCDA (3, 4, 9, 10-perylenetetracarboxylic dianhydride) interface barrier was analyzed using weak-chemisorption theory.
Abstract: The formation of a metal/PTCDA (3, 4, 9, 10-perylenetetracarboxylic dianhydride) interface barrier is analyzed using weak-chemisorption theory. The electronic structure of the uncoupled PTCDA molecule and of the metal surface is calculated. Then, the induced density of interface states is obtained as a function of these two electronic structures and the interaction between both systems. This induced density of states is found to be large enough (even if the metal/PTCDA interaction is weak) for the definition of a Charge Neutrality Level for PTCDA, located 2.45 eV above the highest occupied molecular orbital. We conclude that the metal/PTCDA interface molecular level alignment is due to the electrostatic dipole created by the charge transfer between the two solids.

222 citations


Cited by
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Journal ArticleDOI
TL;DR: A new density functional of the generalized gradient approximation (GGA) type for general chemistry applications termed B97‐D is proposed, based on Becke's power‐series ansatz from 1997, and is explicitly parameterized by including damped atom‐pairwise dispersion corrections of the form C6 · R−6.
Abstract: A new density functional (DF) of the generalized gradient approximation (GGA) type for general chemistry applications termed B97-D is proposed. It is based on Becke's power-series ansatz from 1997 and is explicitly parameterized by including damped atom-pairwise dispersion corrections of the form C(6) x R(-6). A general computational scheme for the parameters used in this correction has been established and parameters for elements up to xenon and a scaling factor for the dispersion part for several common density functionals (BLYP, PBE, TPSS, B3LYP) are reported. The new functional is tested in comparison with other GGAs and the B3LYP hybrid functional on standard thermochemical benchmark sets, for 40 noncovalently bound complexes, including large stacked aromatic molecules and group II element clusters, and for the computation of molecular geometries. Further cross-validation tests were performed for organometallic reactions and other difficult problems for standard functionals. In summary, it is found that B97-D belongs to one of the most accurate general purpose GGAs, reaching, for example for the G97/2 set of heat of formations, a mean absolute deviation of only 3.8 kcal mol(-1). The performance for noncovalently bound systems including many pure van der Waals complexes is exceptionally good, reaching on the average CCSD(T) accuracy. The basic strategy in the development to restrict the density functional description to shorter electron correlation lengths scales and to describe situations with medium to large interatomic distances by damped C(6) x R(-6) terms seems to be very successful, as demonstrated for some notoriously difficult reactions. As an example, for the isomerization of larger branched to linear alkanes, B97-D is the only DF available that yields the right sign for the energy difference. From a practical point of view, the new functional seems to be quite robust and it is thus suggested as an efficient and accurate quantum chemical method for large systems where dispersion forces are of general importance.

23,058 citations

Journal ArticleDOI
01 Aug 2012-Carbon
TL;DR: In this paper, the state-of-the-art status of the reduction of GO on both techniques and mechanisms is reviewed, where the reduction process can partially restore the structure and properties of graphene.

4,187 citations

Journal ArticleDOI
TL;DR: The mechanical properties of nanocrystalline materials are reviewed in this paper, with emphasis on their constitutive response and on the fundamental physical mechanisms, including the deviation from the Hall-Petch slope and possible negative slope, the effect of porosity, the difference between tensile and compressive strength, the limited ductility, the tendency for shear localization, fatigue and creep responses.

3,828 citations

Journal ArticleDOI
TL;DR: Nanocrystals (NCs) discussed in this Review are tiny crystals of metals, semiconductors, and magnetic material consisting of hundreds to a few thousand atoms each that are among the hottest research topics of the last decades.
Abstract: Nanocrystals (NCs) discussed in this Review are tiny crystals of metals, semiconductors, and magnetic material consisting of hundreds to a few thousand atoms each. Their size ranges from 2-3 to about 20 nm. What is special about this size regime that placed NCs among the hottest research topics of the last decades? The quantum mechanical coupling * To whom correspondence should be addressed. E-mail: dvtalapin@uchicago.edu. † The University of Chicago. ‡ Argonne National Lab. Chem. Rev. 2010, 110, 389–458 389

3,720 citations

Journal ArticleDOI
TL;DR: The unique advances on ultrathin 2D nanomaterials are introduced, followed by the description of their composition and crystal structures, and the assortments of their synthetic methods are summarized.
Abstract: Since the discovery of mechanically exfoliated graphene in 2004, research on ultrathin two-dimensional (2D) nanomaterials has grown exponentially in the fields of condensed matter physics, material science, chemistry, and nanotechnology. Highlighting their compelling physical, chemical, electronic, and optical properties, as well as their various potential applications, in this Review, we summarize the state-of-art progress on the ultrathin 2D nanomaterials with a particular emphasis on their recent advances. First, we introduce the unique advances on ultrathin 2D nanomaterials, followed by the description of their composition and crystal structures. The assortments of their synthetic methods are then summarized, including insights on their advantages and limitations, alongside some recommendations on suitable characterization techniques. We also discuss in detail the utilization of these ultrathin 2D nanomaterials for wide ranges of potential applications among the electronics/optoelectronics, electrocat...

3,628 citations