Advanced Simulation Design of Nanostructured Thermoelectric Materials with Enhanced Power Factors

Project Information

NANOthermMA

Grant agreement ID: 678763

DOI 10.3030/678763

Project closed

EC signature date 25 February 2016

Start date 1 July 2016

End date 31 December 2022

Funded under

• EXCELLENT SCIENCE - European Research Council (ERC)

Total cost € 1 498 813,00

EU contribution € 1 498 813,00

Coordinated by

UNIVERSITY OF WARWICK
United Kingdom

Publications

Peer reviewed articles (23)

Theoretical model for the Seebeck coefficient in superlattice materials with energy relaxation

Author(s): Vassilios Vargiamidis, Mischa Thesberg, Neophytos Neophytou
Published in: Journal of Applied Physics, Issue 126/5, 2019, Page(s) 055105, ISSN 0021-8979
Publisher: American Institute of Physics
DOI: 10.1063/1.5108607

Modeling Thermoelectric Performance in Nanoporous Nanocrystalline Silicon

Author(s): Laura Rita de Sousa Oliveira, Vassillios Vargiamidis, Neophytos Neophytou
Published in: IEEE Transactions on Nanotechnology, Issue 18, 2019, Page(s) 896-903, ISSN 1536-125X
Publisher: Institute of Electrical and Electronics Engineers
DOI: 10.1109/tnano.2019.2935876

Material Descriptors for the Discovery of Efficient Thermoelectrics

Author(s): Patrizio Graziosi, Chathurangi Kumarasinghe, Neophytos Neophytou
Published in: ACS Applied Energy Materials, Issue 3/6, 2020, Page(s) 5913-5926, ISSN 2574-0962
Publisher: ACS
DOI: 10.1021/acsaem.0c00825

Ultra-High Thermoelectric Power Factors in Narrow Gap Materials with Asymmetric Bands

Author(s): Patrizio Graziosi, Neophytos Neophytou
Published in: The Journal of Physical Chemistry C, Issue 124/34, 2020, Page(s) 18462-18473, ISSN 1932-7447
Publisher: American Chemical Society
DOI: 10.1021/acs.jpcc.0c05457

Nanostructured potential well/barrier engineering for realizing unprecedentedly large thermoelectric power factors

Author(s): N. Neophytou, S. Foster, V. Vargiamidis, G. Pennelli, D. Narducci
Published in: Materials Today Physics, Issue 11, 2019, Page(s) 100159, ISSN 2542-5293
Publisher: Elsevier
DOI: 10.1016/j.mtphys.2019.100159

Thermal rectification optimization in nanoporous Si using Monte Carlo simulations

Author(s): Dhritiman Chakraborty, Joshua Brooke, Nicholas C S Hulse, Neophytos Neophytou
Published in: Journal of Applied Physics, Issue 126/18, 2019, Page(s) 184303, ISSN 0021-8979
Publisher: American Institute of Physics
DOI: 10.1063/1.5119806

Effect of wave versus particle phonon nature in thermal transport through nanostructures

Author(s): Dhritiman Chakraborty, Hossein Karamitaheri, Laura de Sousa Oliveira, Neophytos Neophytou
Published in: Computational Materials Science, Issue 180, 2020, Page(s) 109712, ISSN 0927-0256
Publisher: Elsevier BV
DOI: 10.1016/j.commatsci.2020.109712

On the effectiveness of the thermoelectric energy filtering mechanism in low-dimensional superlattices and nano-composites

Author(s): Mischa Thesberg, Hans Kosina, Neophytos Neophytou
Published in: Journal of Applied Physics, Issue 120/23, 2016, Page(s) 234302, ISSN 0021-8979
Publisher: American Institute of Physics
DOI: 10.1063/1.4972192

Ultra-low thermal conductivities in large-area Si-Ge nanomeshes for thermoelectric applications

Author(s): Jaime Andres Perez-Taborda, Miguel Muñoz Rojo, Jon Maiz, Neophytos Neophytou, Marisol Martin-Gonzalez
Published in: Scientific Reports, Issue 6/1, 2016, Page(s) 32778, ISSN 2045-2322
Publisher: Nature Publishing Group
DOI: 10.1038/srep32778

Doping Optimization for the Power Factor of Bipolar Thermoelectric Materials

Author(s): Samuel Foster, Neophytos Neophytou
Published in: Journal of Electronic Materials, 2018, ISSN 0361-5235
Publisher: Institute of Electrical and Electronics Engineers
DOI: 10.1007/s11664-018-06857-1

Simulation study of ballistic spin-MOSFET devices with ferromagnetic channels based on some Heusler and oxide compounds

Author(s): Patrizio Graziosi, Neophytos Neophytou
Published in: Journal of Applied Physics, Issue 123/8, 2018, Page(s) 084503, ISSN 0021-8979
Publisher: American Institute of Physics
DOI: 10.1063/1.5011328

On the channel width-dependence of the thermal conductivity in ultra-narrow graphene nanoribbons

Author(s): Hossein Karamitaheri, Neophytos Neophytou
Published in: Applied Physics Letters, Issue 109/6, 2016, Page(s) 063102, ISSN 0003-6951
Publisher: American Institute of Physics
DOI: 10.1063/1.4960528

Thermoelectric power factor of nanocomposite materials from two-dimensional quantum transport simulations

Author(s): Samuel Foster, Mischa Thesberg, Neophytos Neophytou
Published in: Physical Review B, Issue 96/19, 2017, Page(s) 195425, ISSN 2469-9969
Publisher: Physical Review B
DOI: 10.1103/PhysRevB.96.195425

Monte Carlo phonon transport simulations in hierarchically disordered silicon nanostructures

Author(s): Dhritiman Chakraborty, Samuel Foster, Neophytos Neophytou
Published in: Physical Review B, Issue 98/11, 2018, Page(s) 115435, ISSN 2469-9950
Publisher: Physical Review B
DOI: 10.1103/physrevb.98.115435

Dislocation loops as a mechanism for thermoelectric power factor enhancement in silicon nano-layers

Author(s): Nick S. Bennett, Daragh Byrne, Aidan Cowley, Neophytos Neophytou
Published in: Applied Physics Letters, Issue 109/17, 2016, Page(s) 173905, ISSN 0003-6951
Publisher: American Institute of Physics
DOI: 10.1063/1.4966686

Thermoelectric power factor in nanostructured materials with randomized nanoinclusions

Author(s): Vargiamidis, Vassilios; Foster, Samuel; Neophytou, Neophytos
Published in: Physica Status Solidi A, Issue 215, 2018, Page(s) 1700997, ISSN 1862-6319
Publisher: Wiley
DOI: 10.1002/201700997

Hierarchical nanostructuring approaches for thermoelectric materials with high power factors

Author(s): Vassilios Vargiamidis, Neophytos Neophytou
Published in: Physical Review B, Issue 99/4, 2019, Page(s) 045405, ISSN 2469-9950
Publisher: Physical Review B
DOI: 10.1103/physrevb.99.045405

Enhanced Phonon Boundary Scattering at High Temperatures in Hierarchically Disordered Nanostructures

Author(s): Dhritiman Chakraborty, Laura de Sousa Oliveira, Neophytos Neophytou
Published in: Journal of Electronic Materials, 2019, ISSN 0361-5235
Publisher: Institute of Electrical and Electronics Engineers
DOI: 10.1007/s11664-019-06959-4

On the Lorenz number of multiband materials

Author(s): Mischa Thesberg, Hans Kosina, Neophytos Neophytou
Published in: Physical Review B, Issue 95/12, 2017, Page(s) 125206, ISSN 2469-9969
Publisher: Physical Review B
DOI: 10.1103/PhysRevB.95.125206

Large-scale molecular dynamics investigation of geometrical features in nanoporous Si

Author(s): Laura de Sousa Oliveira, Neophytos Neophytou
Published in: Physical Review B, Issue 100/3, 2019, ISSN 2469-9950
Publisher: Americal Physical Society
DOI: 10.1103/physrevb.100.035409

Effectiveness of nanoinclusions for reducing bipolar effects in thermoelectric materials

Author(s): Samuel Foster, Neophytos Neophytou
Published in: Computational Materials Science, Issue 164, 2019, Page(s) 91-98, ISSN 0927-0256
Publisher: Elsevier BV
DOI: 10.1016/j.commatsci.2019.04.005

Band alignment and scattering considerations for enhancing the thermoelectric power factor of complex materials: The case of Co-based half-Heusler alloys

Author(s): Chathurangi Kumarasinghe, Neophytos Neophytou
Published in: Physical Review B, Issue 99/19, 2019, ISSN 2469-9950
Publisher: Americal Physical Society
DOI: 10.1103/physrevb.99.195202

Impact of the scattering physics on the power factor of complex thermoelectric materials

Author(s): Patrizio Graziosi, Chathurangi Kumarasinghe, Neophytos Neophytou
Published in: Journal of Applied Physics, Issue 126/15, 2019, Page(s) 155701, ISSN 0021-8979
Publisher: American Institute of Physics
DOI: 10.1063/1.5116793

Conference proceedings (2)

Monte Carlo simulations for phonon transport in silicon nanomaterials

Author(s): Dhritiman Chakraborty, Samuel Foster, and Neophytos Neophytou
Published in: MaterialsToday: Proceedings, 2019
Publisher: Elsevier

Transport simulations in hierarchically disordered nanostructures for thermoelectric material design

Author(s): Laura de Sousa Oliveira, Vassillios Vargiamidis, Neophytos Neophytou
Published in: 2018 IEEE 13th Nanotechnology Materials and Devices Conference (NMDC), 2018, Page(s) 1-4, ISBN 978-1-5386-1016-9
Publisher: IEEE
DOI: 10.1109/nmdc.2018.8605899

Book chapters (1)

Thermoelectric Power Factor Under Strain-Induced Band-Alignment in the Half-Heuslers NbCoSn and TiCoSb

Author(s): Chathurangi Kumarasinghe, Neophytos Neophytou
Published in: Theory and Simulation in Physics for Materials Applications - Cutting-Edge Techniques in Theoretical and Computational Materials Science, Issue 296, 2020, Page(s) 181-194, ISBN 978-3-030-37789-2
Publisher: Springer International Publishing
DOI: 10.1007/978-3-030-37790-8_10