• Chakraborty, Dhritiman, Karamitaheri, Hossein, de Sousa Oliveira, Laura, Neophytou, Neophytos, 2020. Effect of wave versus particle phonon nature in thermal transport through nanostructures. Computational Materials Science, 180
• Graziosi, Patrizio, Kumarasinghe, Chathurangi, Neophytou, Neophytos, 2020. Material descriptors for the discovery of efficient thermoelectrics. ACS Applied Energy Materials
• Graziosi, Patrizio, Neophytou, Neophytos, 2020. Ultra-high thermoelectric power factors in narrow gap materials with asymmetric bands. The Journal of Physical Chemistry C
• Neophytou, Neophytos, Foster, Samuel, Vargiamidis, Vassilios, Pennelli, G., Narducci, D., 2020. Nanostructured potential well/barrier engineering for realizing unprecedentedly large thermoelectric power factors. Materials Today Physics
• Neophytou, Neophytos, Vargiamidis, Vassilios, Foster, Samuel, Graziosi, Patrizio, de Sousa Oliveira, Laura, Chakraborty, Dhritiman, Li, Zhen, Thesberg, Mischa, Kosina, Hans, Bennett, Nick, Pennelli, Giovanni, Narducci, Dario, 2020. Hierarchically nanostructured thermoelectric materials : challenges and opportunities for improved power factors. The European Physical Journal B, 93 (11)
• Vargiamidis, Vassilios, Neophytou, Neophytos, 2019. Hierarchical nanostructuring approaches for thermoelectric materials with high power factors. Physical Review B (Condensed Matter and Materials Physics), 99 (4)
• Kumarasinghe, Chathurangi, Neophytou, Neophytos, 2019. Band alignment and scattering considerations for enhancing the thermoelectric power factor of complex materials : the case of Co-based half-Heusler alloys. Physical Review B (Condensed Matter and Materials Physics), 99 (19)
• Chakraborty, Dhritiman, Foster, Samuel, Neophytou, Neophytos, 2019. Monte Carlo simulations for phonon transport in silicon nanomaterials. Materials Today: Proceedings, 8, pp. 652-661
• Graziosi, Patrizio, Kumarasinghe, Chathurangi, Neophytou, Neophytos, 2019. Impact of the scattering physics on the power factor of complex thermoelectric materials. Journal of Applied Physics, 126 (15)
• Chakraborty, Dhritiman, Brooke, Joshua, Hulse, Nicholas C. S., Neophytou, Neophytos, 2019. Thermal rectification optimization in nanoporous Si using Monte Carlo simulations. Journal of Applied Physics, 126 (18)
• Foster, Samuel, Neophytou, Neophytos, 2019. Effectiveness of nanoinclusions for reducing bipolar effects in thermoelectric materials. Computational Materials Science, 164, pp. 91-98
• Vargiamidis, Vassilios, Thesberg, Mischa, Neophytou, Neophytos, 2019. Theoretical model for the Seebeck coefficient in superlattice materials with energy relaxation. Journal of Applied Physics, 126 (5)
• Chakraborty, Dhritiman, Foster, Samuel, Neophytou, Neophytos, 2018. Monte Carlo phonon transport simulations in hierarchically disordered silicon nanostructures. Physical Review B (Condensed Matter and Materials Physics), 98 (11)
• Graziosi, Patrizio, Neophytou, Neophytos, 2018. Simulation study of ballistic spin-MOSFET devices with ferromagnetic channels based on some Heusler and oxide compounds. Journal of Applied Physics, 123 (8)
• Foster, Samuel, Neophytou, Neophytos, 2018. Doping optimization for the power factor of bipolar thermoelectric materials. Journal of Electronic Materials
• Vargiamidis, Vassilios, Foster, Samuel, Neophytou, Neophytos, 2018. Thermoelectric power factor in nanostructured materials with randomized nanoinclusions. Physica Status Solidi (a)
• Graziosi, Patrizio, Neophytou, Neophytos, 2018. Simulation study of ballistic spin-MOSFET devices with ferromagnetic channels based on some Heusler and oxide compounds. Journal of Applied Physics, 123 (8)
• Lu, Yi, Wang, Xiayang, Higgins, Matthew D., Noel, Adam, Neophytou, Neophytos, Leeson, Mark S., 2017. Energy requirements of error correction codes in diffusion-based molecular communication systems. Nano Communication Networks, 11, pp. 24-35
• Thesberg, Mischa, Kosina, Hans, Neophytou, Neophytos, 2017. On the Lorenz number of multiband materials. Physical Review B (Condensed Matter and Materials Physics), 95 (12)
• Foster, Samuel, Thesberg, Mischa, Neophytou, Neophytos, 2017. Thermoelectric power factor of nanocomposite materials from two-dimensional quantum transport simulations. Physical Review B (Condensed Matter and Materials Physics), 96 (19)
• Bennett, Nick S., Byrne, Daragh, Cowley, Aidan, Neophytou, Neophytos, 2016. Dislocation loops as a mechanism for thermoelectric power factor enhancement in silicon nano-layers. Applied Physics Letters, 109 (17)
• Neophytou, Neophytos, Thesberg, Mischa, 2016. Modulation doping and energy filtering as effective ways to improve the thermoelectric power factor. Journal of Computational Electronics, 15 (1), pp. 16-26
• Karamitaheri, Hossein, Neophytou, Neophytos, 2016. On the channel width-dependence of the thermal conductivity in ultra-narrow graphene nanoribbons. Applied Physics Letters, 109 (6)
• Thesberg, Mischa, Kosina, Hans, Neophytou, Neophytos, 2016. On the effectiveness of the thermoelectric energy filtering mechanism in low-dimensional superlattices and nano-composites. Journal of Applied Physics, 120 (23)
• Karamitaheri, Hossein, Neophytou, Neophytos, 2016. Phonon transport effects in one-dimensional width-modulated graphene nanoribbons. Journal of Applied Physics, 119 (24)
• Neophytou, Neophytos, Karamitaheri, Hossein, 2016. Phonon transport simulations in low-dimensional disordered graphene nanoribbons. IEEE Transactions on Nanotechnology, 15 (3), pp. 339-347
• Thesberg, Mischa, Pourfath, M., Neophytou, Neophytos, Kosina, Hans, 2016. The fragility of thermoelectric power factor in cross-plane superlattices in the presence of nonidealities : a quantum transport simulation approach. Journal of Electronic Materials, 45 (3), pp. 1584-1588
• Perez-Taborda, Jaime Andres, Muñoz Rojo, Miguel, Maiz, Jon, Neophytou, Neophytos, Martin-Gonzalez, Marisol, 2016. Ultra-low thermal conductivities in large-area Si-Ge nanomeshes for thermoelectric applications. Scientific Reports, 6
• Neophytou, Neophytos, 2015. Prospects of low-dimensional and nanostructured silicon-based thermoelectric materials : findings from theory and simulation. The European Physical Journal B, 88 (4)
• Thesberg, Mischa, Pourfath, Mahdi, Kosina, Hans, Neophytou, Neophytos, 2015. The influence of non-idealities on the thermoelectric power factor of nanostructured superlattices. Journal of Applied Physics, 118 (22)
• Neophytou, Neophytos, Karamitaheri, Hossein, Kosina, Hans, 2015. Use of field-effect density modulation to increase ZT for Si nanowires : a simulation study. Journal of Electronic Materials, 44 (6), pp. 1599-1605
• Karamitaheri, Hossein, Pourfath, Mahdi, Kosina, Hans, Neophytou, Neophytos, 2015. Low-dimensional phonon transport effects in ultranarrow disordered graphene nanoribbons. Physical Review B (Condensed Matter and Materials Physics), 91 (16)
• Karamitaheri, Hossein, Neophytou, Neophytos, Kosina, Hans, 2014. Anomalous diameter dependence of thermal transport in ultra-narrow Si nanowires. Journal of Applied Physics, 115 (2)
• Narducci, Dario, Lorenzi, Bruno, Zianni, Xanthippe, Neophytou, Neophytos, Frabboni, Stefano, Gazzadi, Gian Carlo, Roncaglia, Alberto, Suriano, Francesco, 2014. Enhancement of the power factor in two-phase silicon-boron nanocrystalline alloys. Physica Status Solidi (a), 211 (6), pp. 1255-1258
• Neophytou, Neophytos, Kosina, Hans, 2014. Gated Si nanowires for large thermoelectric power factors. Applied Physics Letters, 105 (7)
• Wolf, Stefanie, Neophytou, Neophytos, Stanojevic, Zlatan, Kosina, Hans, 2014. Monte Carlo simulations of thermal conductivity in nanoporous si membranes. Journal of Electronic Materials, 43 (10), pp. 3870-3875
• Lorenzi, B., Narducci, D., Tonini, R., Frabboni, S., Gazzadi, G. C., Ottaviani, G., Neophytou, Neophytos, Zianni, X., 2014. Paradoxical enhancement of the power factor of polycrystalline silicon as a result of the formation of nanovoids. Journal of Electronic Materials, 43 (10), pp. 3812-3816
• Neophytou, Neophytos, Zianni, Xanthippi, Kosina, Hans, Frabboni, Stefano, Lorenzi, Bruno, Narducci, Dario, 2014. Power factor enhancement by inhomogeneous distribution of dopants in two-phase nanocrystalline systems. Journal of Electronic Materials, 43 (6), pp. 1896-1904
• Wolf, Stefanie, Neophytou, Neophytos, Kosina, Hans, 2014. Thermal conductivity of silicon nanomeshes : effects of porosity and roughness. Journal of Applied Physics, 115 (20)
• Karamitaheri, Hossein, Neophytou, Neophytos, Kosina, Hans, 2014. Use of atomistic phonon dispersion and Boltzmann transport formalism to study the thermal conductivity of narrow Si nanowires. Journal of Electronic Materials, 43 (6), pp. 1829-1836
• Neophytou, Neophytos, Karamitaheri, Hossein, Kosina, Hans, 2013. Atomistic calculations of the electronic, thermal, and thermoelectric properties of ultra-thin Si layers. Journal of Computational Electronics, 12 (4), pp. 611-622
• Neophytou, Neophytos, Zianni, Xanthippi, Kosina, Hans, Frabboni, Stefano, Lorenzi, Bruno, Narducci, Dario, 2013. Simultaneous increase in electrical conductivity and Seebeck coefficient in highly boron-doped nanocrystalline Si. Nanotechnology, 24 (20)