Photophysical properties and ab initio HF and DFT calculations of the structure and spectroscopy of axially chloro substituted Yb(III) mono-phthalocyanines in different systems☆
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Luminescence"
DOI: 10.1016/j.jlumin.2017.09.002
Abstract: Abstract Lanthanide complexes with phthalocyanines (Pc) and porphyrins are of great interest because of unique luminescence behavior and many applications, mainly in medicine, optoelectronics, lasers and solar energy conversion. This paper is focused on photophysical… read more here.
Keywords: properties initio; chloro substituted; axially chloro; spectroscopy ... See more keywords
Electro-optic properties from ab initio calculations in two-dimensional materials
Sign Up to like & getrecommendations! Published in 2024 at "Physical Review B"
DOI: 10.1103/physrevb.109.165414
Abstract: Electro-optic (EO) effects relate the change of optical constants by low-frequency electric fields. Thanks to the advent of Density Functional Perturbation Theory (DFPT), the EO properties of bulk three-dimensional (3D) materials can now be calculated… read more here.
Keywords: properties initio; electro optic; two dimensional; dimensional materials ... See more keywords