Novel Two-Dimensional Layered MoSi
DFT
optoelectronic devices
remarkable optical absorption
superior external quantum efficiency
Journal
Nanomaterials (Basel, Switzerland)
ISSN: 2079-4991
Titre abrégé: Nanomaterials (Basel)
Pays: Switzerland
ID NLM: 101610216
Informations de publication
Date de publication:
24 Feb 2021
24 Feb 2021
Historique:
received:
03
02
2021
revised:
17
02
2021
accepted:
20
02
2021
entrez:
6
3
2021
pubmed:
7
3
2021
medline:
7
3
2021
Statut:
epublish
Résumé
Very recently, two new two-dimensional (2D) layered semi-conducting materials MoSi2N4 and WSi2N4 were successfully synthesized in experiments, and a large family of these two 2D materials, namely MA2Z4, was also predicted theoretically (Science, 369, 670 (2020)). Motivated by this exciting family, in this work, we systematically investigate the mechanical, electronic and optical properties of monolayer and bilayer MoSi2P4 and MoSi2As4 by using the first-principles calculation method. Numerical results indicate that both monolayer and bilayer MoSi2Z4 (Z = P, As) present good structural stability, isotropic mechanical parameters, moderate bandgap, favorable carrier mobilities, remarkable optical absorption, superior photon responsivity and external quantum efficiency. Especially, due to the wave-functions of band edges dominated by
Identifiants
pubmed: 33668165
pii: nano11030559
doi: 10.3390/nano11030559
pmc: PMC7995989
pii:
doi:
Types de publication
Journal Article
Langues
eng
Subventions
Organisme : National Natural Science Foundation of China
ID : 11774238
Organisme : Shenzhen Natural Science Foundations
ID : JCYJ20190808150409413
Organisme : Shenzhen Natural Science Foundations
ID : JCYJ20190808115415679
Organisme : Shenzhen Natural Science Foundations
ID : JCYJ20190808152801642
Organisme : Natural Science Foundation of Guangdong Province
ID : 2020A1515011418
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