Open Access. Powered by Scholars. Published by Universities.®
Physical Sciences and Mathematics Commons™
Open Access. Powered by Scholars. Published by Universities.®
- Institution
Articles 1 - 2 of 2
Full-Text Articles in Physical Sciences and Mathematics
Spectroscopic Analysis Of Potential Astromolecules Via Quantum Chemical Quartic Force Fields, Mason Gardner
Spectroscopic Analysis Of Potential Astromolecules Via Quantum Chemical Quartic Force Fields, Mason Gardner
Honors Theses
Astrochemistry has been substantially aided by computational techniques, particularly through the use of Quartic Force Field (QFF) analysis. Several methods have proven useful at correlating computed spectroscopic data with experimental observations. The F12-TZ QFF correlated well with experimental data for silicon oxide compounds, particularly those potentially involved in development from rocky bodies to planetary masses [27]. Compared to argon matrix experimental data, the vibrational frequencies for the molecules SiO2, SiO3, Si2O3, and Si2O4 become less accurate as the complexity of the molecules increases but should still be predictive of infrared characteristics of silicon oxides as they form clusters in space …
Mechanical Routes To Biocontinuous Conductive Polymer Networks For Solar Cell Applications, Erin Waterman
Mechanical Routes To Biocontinuous Conductive Polymer Networks For Solar Cell Applications, Erin Waterman
Honors Theses
We have successfully created the first example of a bicontinuous conductive polymer network for use in hybrid QD-polymer solar cells via a mechanochemical route. Heterometallic dicyanoaurate coordination polymers were used as intercalative hosts to promote in situ growth of emeraldine polyaniline (PANI), which provides electron conduction pathways within the active layer. Cu2+-excanged Laponite RD nanodiscs were used to direct the self-assembly of the bicontinuous polymer networks and nanomorphology within the nanocomposites. These PANI/Laponite coordination polymers were extensively characterized by scanning electron microscopy, attenuated total reflectance-Fourier transform infrared spectroscopy, and ultraviolet-visible absorption spectroscopy in order to probe polymer-nanoparticle and polymer-polymer interactions. …