Advanced search
Start date

Study of the electronic, structural, and transport properties of materials for thermoelectric applications via ab initio calculations

Grant number: 15/26434-2
Support type:Scholarships in Brazil - Post-Doctorate
Effective date (Start): December 01, 2016
Effective date (End): November 30, 2019
Field of knowledge:Physical Sciences and Mathematics - Physics - Condensed Matter Physics
Principal Investigator:Alex Antonelli
Grantee:Anderson Silva Chaves
Home Institution: Instituto de Física Gleb Wataghin (IFGW). Universidade Estadual de Campinas (UNICAMP). Campinas , SP, Brazil
Associated research grant:13/08293-7 - CCES - Center for Computational Engineering and Sciences, AP.CEPID
Associated scholarship(s):18/01274-0 - Ab initio thermoelectric transport properties of single layer 2D materials and van der Waals heterostructures, BE.EP.PD


This project aims to study the structural stability, the electronic and vibrational properties, as well as the transport properties, such as electrical conductivity, Seebeck coefficient and the contributions of electrons and phonons to the thermal conductivity of materials for thermoelectric applications, including: chalcogenide compounds IV-VI, SnSe and SnS, and V-VI, As2Se3 and As2S3, using ab initio calculations. (AU)

Scientific publications
(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)
CHAVES, ANDERSON S.; ANTONELLI, ALEX; LARSON, DANIEL T.; KAXIRAS, EFTHIMIOS. Boosting the efficiency of ab initio electron-phonon coupling calculations through dual interpolation. Physical Review B, v. 102, n. 12 SEP 11 2020. Web of Science Citations: 0.
GONZALEZ-ROMERO, ROBERT L.; ANTONELLI, ALEX; CHAVES, ANDERSON S.; MELENDEZ, JUAN J. Ultralow and anisotropic thermal conductivity in semiconductor As2Se3. Physical Chemistry Chemical Physics, v. 20, n. 3, p. 1809-1816, JAN 21 2018. Web of Science Citations: 6.

Please report errors in scientific publications list by writing to: