1,721,113 research outputs found

    Hybrid and Organic Functional Materials: A First-Principles Study

    Full text link
    Contains fulltext : 159050.pdf (Publisher’s version ) (Open Access)RU Radboud Universiteit, 18 oktober 2016Promotor : Groot, R.A. de Co-promotor : Wijs, G.A. deVI, 157 p

    2p Magnetism, spinorbitronics, and NiMnSb

    No full text
    Contains fulltext : 112898.pdf (Publisher’s version ) (Open Access)Radboud Universiteit Nijmegen, 16 september 2013Promotor : Groot, R.A. de Co-promotor : Wijs, G.A. de103 p

    Electronic structure calculations on bulk and surfaces of some transition-metal and f-electron compounds

    Full text link
    Contains fulltext : 139477.pdf (Publisher’s version ) (Open Access)Radboud Universiteit Nijmegen, 09 april 2015Promotor : Groot, R.A. de Co-promotor : Wijs, G.A. de111 p

    Treatise on magnetocaloric MnFe(Si,P) compounds : a first-principles study

    No full text
    Contains fulltext : 160398.pdf (Publisher’s version ) (Open Access)RU Radboud Universiteit, 10 oktober 2016Promotor : Groot, R.A. de Co-promotor : Wijs, G.A. deIX, 113 p

    Complex hydrides for hydrogen storage : a first-principles study

    No full text
    Contains fulltext : 106979.pdf (Publisher’s version ) (Open Access)Radboud Universiteit Nijmegen, 18 juni 2013Promotor : Groot, R.A. de Co-promotores : Wijs, G.A. de, Brocks, G.107 p

    Computations on injection into organics - or how to let electrons shine

    Full text link
    Contains fulltext : 30030.pdf (Publisher’s version ) (Open Access)This thesis studies various aspects of electron injection into organic light-emitting diodes (OLEDs) using density functional theory and the master equation approach (only the last chapter). The first part of the thesis studies the relation between the work function and the surface stability of a multitude of compounds (Ca2N, BaAl4, CaAl4, BaAuIn3, LaB6 and CrO2) having different crystal structures and consisting of elements from various parts of the periodic table. The work function and surface stability are materials properties that are crucial for cathodes, used in many devices ranging from microwave ovens to OLEDs. The common perception, however, was that stability and a low work function are incompatible in general. From the studies, a general model is constructed for metallic compounds, including the transition-metal oxides that predicts large anisotropies and stable low-work-function surfaces for many metals with polar surfaces. Chapter seven studies the ground state of the fifth element. Boron is a technologically interesting material, and challenging for both experimentalists and theoreticians. The most stable ß rhombohedral structure found exhibits an electronic structure consistent with known experiments when impurities add two electrons. The inclusion of zero point energies turns this structure into the ground state of elemental boron, also at finite temperatures. Chapter eight studies the spin-orbit coupling (SO) in lead-telluride and graphite. For PbTe the wavefunction character at the Fermi level is determined and for graphite the Landé g-factor is calculated, which compares quite reasonably to experiment. The final chapter simulates electron injection into disordered organic semiconductors for both Ohmic” and Schottky” contacts. It is concluded that an advanced continuum description fails for devices far from equilibrium, that disorder decreases the differences between the two contact types and increases the overall charge densityRU Radboud Universiteit Nijmegen, 16 mei 2007Promotores : Speller, S.E., Coehoorn, R., Groot, R.A. de Co-promotor : Wijs, G.A. de136 p

    Going Beyond Counting First Authors in Author Co-citation Analysis

    Full text link
    The present study examines one of the fundamental aspects of author co-citation analysis (ACA) - the way co-citation counts are defined. Co-citation counting provides the data on which all subsequent statistical analyses and mappings are based, and we compare ACA results based on two different types of co-citation counting - the traditional type that only counts the first one among a cited work's authors on the one hand and a non-traditional type that takes into account the first 5 authors of a cited work on the other hand. Results indicate that the picture produced through this non-traditional author co-citation counting contains more coherent author groups and is therefore considerably clearer. However, this picture represents fewer specialties in the research field being studied than that produced through the traditional first-author co-citation counting when the same number of top-ranked authors is selected and analyzed. Reasons for these effects are discussed

    Variations on the Author

    Full text link
    “Variations on the Author” discusses two of Eduardo Coutinho’s recent films (Um Dia na Vida, from 2010, and Últimas Conversas, posthumously released in 2015) and their contribution to the general question of documentary authorship. The director’s filmography is characterized by a consistent yet self-effacing form of authorial self-inscription: Coutinho often features as an interviewer that rather than express opinions propels discourses; an interviewer that is good at listening. This mode of self-inscription characterizes him as an author who is not expressive but who is nonetheless markedly present on the screen. In Um Dia na Vida, however, Coutinho is completely absent form the image, while Últimas Conversas, on the contrary, includes a confessional prologue that moves the director from the margins to the center of his films. This article examines the ways in which these works stand out in the filmography of a director who offers new insights into the notion of cinematic authorship

    Appropriate Similarity Measures for Author Cocitation Analysis

    Full text link
    We provide a number of new insights into the methodological discussion about author cocitation analysis. We first argue that the use of the Pearson correlation for measuring the similarity between authors’ cocitation profiles is not very satisfactory. We then discuss what kind of similarity measures may be used as an alternative to the Pearson correlation. We consider three similarity measures in particular. One is the well-known cosine. The other two similarity measures have not been used before in the bibliometric literature. Finally, we show by means of an example that our findings have a high practical relevance.information science;Pearson correlation;cosine;similarity measure;author cocitation analysis
    corecore