Accession Number : AD1039420


Title :   A Modular Framework for 3 Way Electrochromic Switches


Descriptive Note : Technical Report,01 Oct 2016,31 Mar 2017


Corporate Author : US Army Research Laboratory Aberdeen Proving Ground United States


Personal Author(s) : Elward, Jennifer M ; Rinderspacher,B C


Full Text : https://apps.dtic.mil/dtic/tr/fulltext/u2/1039420.pdf


Report Date : 01 Sep 2017


Pagination or Media Count : 44


Abstract : We present a computational study of a novel molecular framework using an allylic bridge for electrochromic applications. The molecules were studied using density functional theory (DFT) at the CAM-B3LYP/6-31 G(d) level. We report spectra,(hyper)polarizabilities, and deprotonation energies. Large spectral shifts are predicted spanning the visible spectral window. Both transparent-to-colored and colored-to-colored transitions are predicted to be feasible. High polarizabilities indicate further tunability through environmental factors.


Descriptors :   density functional theory , charge transfer , dihedral angle , dipole moments , ground state , molecules , electron acceptors , isomers , absorption spectra , acetylenes , alkynes , electron donors , polymers , alkenes , carbon nanotubes , spectroscopy


Subject Categories : Electrical and Electronic Equipment


Distribution Statement : APPROVED FOR PUBLIC RELEASE