Tuning the energy levels of photochromic diarylethene compounds for optoelectronic switch devices
(English)Manuscript (Other academic)
Photochromic diarylethene molecules (PC) is investigated for use in opticalwrite/electrical read memory applications. The frontier energy levels and dipolemoment is calculated using density functional theory. Good agreement is foundbetween calculated electronic structure and measured ultraviolet photoelectronspectra. The changes in frontier energy levels and dipole moment are scrutinizedupon two different approaches for chemical modification: (i) adding substituentsto the ethylene bridge; or (ii) changing the chemical nature of the aryl rings.Through the chemical modification the frontier energy levels can be tuned bymore than 2 eV. The calculated molecular properties are used in charge transportmodels to predict the behavior of devices based on these molecules. By using thePC in combination with an organic semiconductor (in bilayer or blend) goodswitching behavior can be achieved in a device. The switch effect is predicted tobe mainly due to switch in frontier energy levels rather than switch of dipolemoment. This is concluded since the dipole moment is either too small (< 5 D) orthe switch effect to small (less than a factor of two).
Other Electrical Engineering, Electronic Engineering, Information Engineering
IdentifiersURN: urn:nbn:se:liu:diva-14838OAI: oai:DiVA.org:liu-14838DiVA: diva2:25329