naa a22 4500 510801609 CHVBK 20180411083357.0 cr unu---uuuuu 180411e20130701xx s 000 0 eng 10.1007/s11664-012-2424-8 doi (NATIONALLICENCE)springer-10.1007/s11664-012-2424-8 Nanograin Effects on the Thermoelectric Properties of Poly-Si Nanowires [Elektronische Daten] [N. Neophytou, X. Zianni, M. Ferri, A. Roncaglia, G. Cerofolini, D. Narducci] In this work we perform a theoretical analysis of the thermoelectric performance of polycrystalline Si nanowires (NWs) by considering both electron and phonon transport. The simulations are calibrated with experimental data from monocrystalline and polycrystalline structures. We show that heavily doped polycrystalline NW structures with grain size below 100nm might offer an alternative approach to achieve simultaneous thermal conductivity reduction and power factor improvements through improvements in the Seebeck coefficient. We find that deviations from the homogeneity of the channel and/or reduction in the diameter may provide strong reduction in the thermal conductivity. Interestingly, our calculations show that the Seebeck coefficient and consequently the power factor can be improved significantly once the polycrystalline geometry is properly optimized, while avoiding strong reduction in the electrical conductivity. In such a way, ZT values even higher than the ones reported for monocrystalline Si NWs can be achieved. TMS, 2013 Polycrystalline nationallicence silicon nationallicence thermoelectrics nationallicence Seebeck nationallicence power factor nationallicence thermal conductivity nationallicence Neophytou N. Institute for Microelectronics, Technical University of Vienna, Vienna, Austria aut Zianni X. Department of Applied Sciences, Technological Educational Institution of Chalkida, 34 400, Psachna, Greece aut Ferri M. IMM-CNR, Bologna, Italy aut Roncaglia A. IMM-CNR, Bologna, Italy aut Cerofolini G. Department of Materials Science, University of Milano-Bicocca, via R. Cozzi 53, 20125, Milan, Italy aut Narducci D. Department of Materials Science, University of Milano-Bicocca, via R. Cozzi 53, 20125, Milan, Italy aut Journal of Electronic Materials Springer US; http://www.springer-ny.com 42/7(2013-07-01), 2393-2401 0361-5235 42:7<2393 2013 42 11664 https://doi.org/10.1007/s11664-012-2424-8 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s11664-012-2424-8 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Neophytou N. Institute for Microelectronics, Technical University of Vienna, Vienna, Austria aut NATIONALLICENCE 700 1- Zianni X. Department of Applied Sciences, Technological Educational Institution of Chalkida, 34 400, Psachna, Greece aut NATIONALLICENCE 700 1- Ferri M. IMM-CNR, Bologna, Italy aut NATIONALLICENCE 700 1- Roncaglia A. IMM-CNR, Bologna, Italy aut NATIONALLICENCE 700 1- Cerofolini G. Department of Materials Science, University of Milano-Bicocca, via R. Cozzi 53, 20125, Milan, Italy aut NATIONALLICENCE 700 1- Narducci D. Department of Materials Science, University of Milano-Bicocca, via R. Cozzi 53, 20125, Milan, Italy aut NATIONALLICENCE 773 0- Journal of Electronic Materials Springer US; http://www.springer-ny.com 42/7(2013-07-01), 2393-2401 0361-5235 42:7<2393 2013 42 11664 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer