Zobrazeno 1 - 5
of 5
pro vyhledávání: '"Manushi J. Patel"'
Publikováno v:
Scientific Reports, Vol 13, Iss 1, Pp 1-12 (2023)
Abstract First-principles methods have been employed here to calculate structural, electronic and optical properties of CsPbI3 and CsPbBr3, in monolayer and heterostructure (HS) (PbI2-CsBr (HS1), CsI-CsBr (HS2), CsI-PbBr2 (HS3) and PbI2-PbBr2 (HS4))
Externí odkaz:
https://doaj.org/article/baf29e87b1c6457cb4d461dc73799b00
Publikováno v:
Materials Today: Proceedings. 67:20-24
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::56f77d63903f71c51943275614d735d6
https://doi.org/10.1016/j.matpr.2022.04.1014
https://doi.org/10.1016/j.matpr.2022.04.1014
Publikováno v:
The Journal of Physical Chemistry Letters. 12:7319-7327
The density functional theory (DFT) based analysis of cubic phase cesium lead chloride (CsPbCl3) perovskite is reported. Here the absence of imaginary frequencies in the phonon dispersion curves of unit cell of bulk and monolayer CsPbCl3 showed that
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f7176c199d1df6baf5ba98b051e04c22
https://doi.org/10.1021/acs.jpclett.1c01100
https://doi.org/10.1021/acs.jpclett.1c01100
Publikováno v:
Materials Today: Proceedings. 28:164-167
The electronic structure and optical properties of β-CuSCN is studied within the framework of density functional theory (DFT) formalism. The calculation is carried out within the generalized gradient approximation (GGA) using SIESTA code. The obtain
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c68a4884d4a7deebb754b51a76e896cd
https://doi.org/10.1016/j.matpr.2020.01.469
https://doi.org/10.1016/j.matpr.2020.01.469
Publikováno v:
The journal of physical chemistry letters. 12(30)
The density functional theory (DFT) based analysis of cubic phase cesium lead chloride (CsPbCl
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::ab7dd8452b1d46c75c8eab4b0193b131
https://pubmed.ncbi.nlm.nih.gov/34319749
https://pubmed.ncbi.nlm.nih.gov/34319749