Transport properties of individual C60-molecules

Autor: Géranton, G., Seiler, C., Bagrets, A., Venkataraman, L., Evers, F.

Electrical and thermal transport properties of C60 molecules are investigated with density-functional-theory based calculations. These calculations suggest that the optimum contact geometry for an electrode terminated with a single-Au atom is through

Externí odkaz: http://arxiv.org/abs/1206.1226

Transport properties of individual C60-molecules.

Autor: Géranton, G., Seiler, C., Bagrets, A., Venkataraman, L., Evers, F.

Publikováno v: Journal of Chemical Physics; 12/21/2013, Vol. 139 Issue 23, preceding p1-12, 13p, 2 Diagrams, 3 Charts, 7 Graphs

Wannier90 as a community code: new features and applications.

Autor: Pizzi G; Theory and Simulation of Materials (THEOS) and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), École Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne, Switzerland., Vitale V, Arita R, Blügel S, Freimuth F, Géranton G, Gibertini M, Gresch D, Johnson C, Koretsune T, Ibañez-Azpiroz J, Lee H, Lihm JM, Marchand D, Marrazzo A, Mokrousov Y, Mustafa JI, Nohara Y, Nomura Y, Paulatto L, Poncé S, Ponweiser T, Qiao J, Thöle F, Tsirkin SS, Wierzbowska M, Marzari N, Vanderbilt D, Souza I, Mostofi AA, Yates JR

Publikováno v: Journal of physics. Condensed matter : an Institute of Physics journal [J Phys Condens Matter] 2020 Apr 17; Vol. 32 (16), pp. 165902.

Wenzhou TE: A First-Principle-Calculated Thermoelectric Materials Database.

Autor: Fang, Ying¹ (AUTHOR), Shao, Hezhu¹ (AUTHOR) hzshao@wzu.edu.cn

Publikováno v: Materials (1996-1944). May2024, Vol. 17 Issue 10, p2200. 13p.

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