Optimisation of the thermoelectric efficiency of zirconium trisulphide monolayers through unixial and biaxial strain

The goal of this work is to investigate the influence of mechanical deformation on the electronic and thermoelectric properties of ZrS(3) monolayers. We employ density functional theory (DFT) calculations at the hybrid HSE06 level to evaluate the response of the electronic band gap and mobilities, a...

Descripción completa

Detalles Bibliográficos
Autores principales: Saiz, Fernan, Carrete, Jesús, Rurali, Riccardo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: RSC 2020
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9417286/
https://www.ncbi.nlm.nih.gov/pubmed/36132015
http://dx.doi.org/10.1039/d0na00518e

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9417286/
https://www.ncbi.nlm.nih.gov/pubmed/36132015
http://dx.doi.org/10.1039/d0na00518e

Ejemplares similares