Authors: ssor Vitaly V. Chaban
Quantum dots (QDs) are applied in a variety of fields ranging from photovoltaics to biomedical imaging. Even the smallest QDs present a complicated potential energy surface characterized by a large set of stationary points. Each local minimum is an isomer of QD of given composition. An established theoretical methodology is hereby employed to obtain geometries of the QD isomers (Cd16S16, Cd16Se16, Zn16S16, Zn16Se16) and predict their fundamental electronic and thermodynamic properties. Significantly scattered heats of formation, with a difference of up to 1304 kcal mol-1 between the most and least thermodynamically stable isomers (Cd16S16), were found. The most shallow transition points can unlikely be observed in the experiments at finite temperature, since they are able to transform into more stable isomers upon thermal motion. Dipole moment is the most sensitive property to the QD isomer geometry. A global energy search technique was demonstrated to be an efficient tool to systematically identify isomers of QDs.
Comments: 6 Pages.
[v1] 2017-06-03 02:58:58
Unique-IP document downloads: 50 times
Vixra.org is a pre-print repository rather than a journal. Articles hosted may not yet have been verified by peer-review and should be treated as preliminary. In particular, anything that appears to include financial or legal advice or proposed medical treatments should be treated with due caution. Vixra.org will not be responsible for any consequences of actions that result from any form of use of any documents on this website.
Add your own feedback and questions here:
You are equally welcome to be positive or negative about any paper but please be polite. If you are being critical you must mention at least one specific error, otherwise your comment will be deleted as unhelpful.