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

CORDIS provides links to public deliverables and publications of HORIZON projects.

Links to deliverables and publications from FP7 projects, as well as links to some specific result types such as dataset and software, are dynamically retrieved from OpenAIRE .

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