Thermoelectric transports in pristine and functionalized boron phosphide monolayers.
Journal
Scientific reports
ISSN: 2045-2322
Titre abrégé: Sci Rep
Pays: England
ID NLM: 101563288
Informations de publication
Date de publication:
11 May 2021
11 May 2021
Historique:
received:
12
01
2021
accepted:
03
03
2021
entrez:
12
5
2021
pubmed:
13
5
2021
medline:
13
5
2021
Statut:
epublish
Résumé
Recently, a new monolayer Group III-V material, two-dimensional boron phosphide (BP), has shown great potential for energy storage and energy conversion applications. We study the thermoelectric properties of BP monolayer as well as the effect of functionalization by first-principles calculation and Boltzmann transport theory. Combined with a moderate bandgap of 0.90 eV and ultra-high carrier mobility, a large ZT value of 0.255 at 300 K is predicted for two-dimensional BP. While the drastically reduced thermal conductivity in hydrogenated and fluorinated BP is favored for thermoelectric conversion, the decreased carrier mobility has limited the improvement of thermoelectric figure of merit.
Identifiants
pubmed: 33976318
doi: 10.1038/s41598-021-89579-5
pii: 10.1038/s41598-021-89579-5
pmc: PMC8113530
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
10030Subventions
Organisme : Natural Science Foundation of China
ID : 51676212
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