β-In2S3 for photovoltaic devices: investigation of the native point defects with ab initio first-principle calculations
Sign Up to like & getrecommendations! Published in 2018 at "Theoretical Chemistry Accounts"
DOI: 10.1007/s00214-018-2273-5
Abstract: Herein, we report a theoretical investigation based on DFT calculations devoted to the nature of charge carriers in the β-In2S3 material used as buffer in chalcopyrite thin-film solar cells. Our simulations led to unambiguous results… read more here.
Keywords: in2s3 photovoltaic; native point; investigation native; investigation ... See more keywords
The native point defects of ternary C14 Laves phase Mg 2 Cu 3 Si: Ab initio investigation
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Solid State Chemistry"
DOI: 10.1016/j.jssc.2017.07.015
Abstract: Abstract Nine possible native point defects in ternary C14 Laves phase Mg 2 Cu 3 Si are investigated from ab initio calculation based on density function theory. The two-dimensional phase diagram of chemical potentials is… read more here.
Keywords: phase; native point; point defects; ternary c14 ... See more keywords
Identifying Native Point Defects in the Topological Insulator Bi2Te3.
Sign Up to like & getrecommendations! Published in 2020 at "ACS nano"
DOI: 10.1021/acsnano.0c04861
Abstract: We successfully identified native point defects that occur in Bi2Te3 crystals by combining high-resolution bias-dependent scanning tunneling microscopy and density functional theory based calculations. As-grown Bi2Te3 crystals contain vacancies, antisites, and interstitial defects that may… read more here.
Keywords: native point; point defects; topological insulator; bi2te3 ... See more keywords
Native point defect modulated Cr3+-LaAlO3 as an in vitro excited contrast medium for in vivo near-infrared persistent deep-tissue bio-imaging.
Sign Up to like & getrecommendations! Published in 2021 at "Chemical communications"
DOI: 10.1039/d1cc04064b
Abstract: Due to the synergistic effect of Cr3+ dopant levels and defect state, the luminescence intensity and decay time in LaAlO3 are remarkably enhanced, and the emission wavelength from deep-red (Cr3+ as the luminescent center) to… read more here.
Keywords: cr3 laalo3; native point; defect modulated; point defect ... See more keywords
Native Point Defect Measurement and Manipulation in ZnO Nanostructures
Sign Up to like & getrecommendations! Published in 2019 at "Materials"
DOI: 10.3390/ma12142242
Abstract: This review presents recent research advances in measuring native point defects in ZnO nanostructures, establishing how these defects affect nanoscale electronic properties, and developing new techniques to manipulate these defects to control nano- and micro-… read more here.
Keywords: native point; point defects; zno nanostructures; point ... See more keywords
Energetics and electronic structure of native point defects in α-Ga2O3
Sign Up to like & getrecommendations! Published in 2019 at "Applied Physics Express"
DOI: 10.7567/1882-0786/ab3763
Abstract: We report first-principles calculations that clarify the formation energies and charge transition levels of native point defects (Ga and O vacancies, interstitials, and a Ga vacancy-O vacancy pair) in corundum structured alt;iagt;αalt;/iagt;-Gaalt;subagt;2alt;/subagt;Oalt;subagt;3alt;/subagt;. Either under a… read more here.
Keywords: subagt; alt iagt; vacancy; native point ... See more keywords