Nita Dragoe

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M. Morscher,1 A. P. Seitsonen,2 S. Ito,3 H. Takagi,3 N. Dragoe,4 and T. Greber1,* 1Physik-Institut, Universität Zürich, Winterthurerstrasse 190, CH-8057 Zürich, Switzerland 2Physikalisch-Chemisches Institut, Universität Zürich, Winterthurerstrasse 190, CH-8057 Zürich, Switzerland, and IMPMC, CNRS and Université Pierre et Marie Curie, 4 place Jussieu, case(More)
A significant enhancement of thermoelectric performance in layered oxyselenides BiCuSeO was achieved. The electrical conductivity and Seebeck coefficient of BiCu(1-x)SeO (x = 0-0.1) indicate that the carriers were introduced in the (Cu(2)Se(2))(2-) layer by Cu deficiencies. The maximum of electrical conductivity is 3 × 10(3) S m(-1) for Bicu(0.975)Seo at(More)
Considering the DySc2N@C80 system as a prototype for Single Ion Magnets (SIMs) based on endohedral fullerenes, we present methodological advances and state-of-the art computations analysing the electronic structure and its relationship with the magnetic properties due to the Dy(III) ion. The results of the quantum chemical calculations are quantitatively(More)
We report on the thermoelectric (TE) performance of intrinsic n-type AgBiSe2, a Pb-free material with more earth-abundant and cheaper elements than intrinsic p-type homologous AgSbTe2. Pb doping changes n-type AgBiSe2 to p-type but leads to poor electrical transport properties. Nb doping enhances the TE properties of n-type AgBiSe2 by increasing the carrier(More)
In this paper, we report on the crystal structure and the electrical and thermal transport properties of the BiCuSe1-xSxO series. From the evolution of the structural parameters with the substitution rate, we can confidently conclude that a complete solid solution exists between the BiCuSeO and BiCuSO end members, without any miscibility gap. However, the(More)
Analysis of IR and Raman spectra of Ar@C(60) and Kr@C(60) shows that the incorporation of noble gas atoms causes a blue shift of low energy vibrations, which have radial character, and a red shift of higher energy ones which have a tangential character movement. The mechanism of these phenomena is explained on the basis of ab initio numerical experiments(More)
In the past few years, many studies have been devoted to the thermoelectric properties of copper selenides and sulfides, and several families of materials have been developed with promising performances. In this paper, we report on the synthesis and thermoelectric properties of Na-doped BaCu2Se2 from 20 K to 773 K. By Na doping at the Ba site, the(More)