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Articles 1 - 4 of 4

Full-Text Articles in Engineering

Computationally Aided Design Of A High-Performance Organic Semiconductor: The Development Of A Universal Crystal Engineering Core, Anthony J. Petty Ii, Qianxiang Ai, Jeni C. Sorli, Hamna F. Haneef, Geoffrey E. Purdum, Alex M. Boehm, Devin B. Granger, Kaichen Gu, Carla Patricia Lacerda Rubinger, Sean R. Parkin, Kenneth R. Graham, Oana D. Jurchescu, Yueh-Lin Loo, Chad Risko, John E. Anthony Oct 2019

Computationally Aided Design Of A High-Performance Organic Semiconductor: The Development Of A Universal Crystal Engineering Core, Anthony J. Petty Ii, Qianxiang Ai, Jeni C. Sorli, Hamna F. Haneef, Geoffrey E. Purdum, Alex M. Boehm, Devin B. Granger, Kaichen Gu, Carla Patricia Lacerda Rubinger, Sean R. Parkin, Kenneth R. Graham, Oana D. Jurchescu, Yueh-Lin Loo, Chad Risko, John E. Anthony

Chemistry Faculty Publications

Herein, we describe the design and synthesis of a suite of molecules based on a benzodithiophene “universal crystal engineering core”. After computationally screening derivatives, a trialkylsilylethyne-based crystal engineering strategy was employed to tailor the crystal packing for use as the active material in an organic field-effect transistor. Electronic structure calculations were undertaken to reveal derivatives that exhibit exceptional potential for high-efficiency hole transport. The promising theoretical properties are reflected in the preliminary device results, with the computationally optimized material showing simple solution processing, enhanced stability, and a maximum hole mobility of 1.6 cm2 V−1 s−1.


Triperyleno[3,3,3]Propellane Triimides: Achieving A New Generation Of Quasi-D3h Symmetric Nanostructures In Organic Electronics, Lingling Lv, Josiah Roberts, Chengyi Xiao, Zhenmei Jia, Wei Jiang, Chad Risko, Lei Zhang May 2019

Triperyleno[3,3,3]Propellane Triimides: Achieving A New Generation Of Quasi-D3h Symmetric Nanostructures In Organic Electronics, Lingling Lv, Josiah Roberts, Chengyi Xiao, Zhenmei Jia, Wei Jiang, Chad Risko, Lei Zhang

Chemistry Faculty Publications

Rigid three-dimensional (3D) polycyclic aromatic hydrocarbons (PAHs), in particular 3D nanographenes, have garnered interest due to their potential use in semiconductor applications and as models to study through-bond and through-space electronic interactions. Herein we report the development of a novel 3D-symmetric rylene imide building block, triperyleno[3,3,3]propellane triimides (6), that possesses three perylene monoimide subunits fused on a propellane. This building block shows several promising characteristics, including high solubility, large π-surfaces, electron-accepting capabilities, and a variety of reactive sites. Further, the building block is compatible with different reactions to readily yield quasi-D3h symmetric nanostructures (9 ...


Using A Balloon-Launched Unmanned Glider To Validate Real-Time Wrf Modeling, Travis J. Schuyler, S. M. Iman Gohari, Gary Pundsack, Donald Berchoff, Marcelo I. Guzman Apr 2019

Using A Balloon-Launched Unmanned Glider To Validate Real-Time Wrf Modeling, Travis J. Schuyler, S. M. Iman Gohari, Gary Pundsack, Donald Berchoff, Marcelo I. Guzman

Chemistry Faculty Publications

The use of small unmanned aerial systems (sUAS) for meteorological measurements has expanded significantly in recent years. SUAS are efficient platforms for collecting data with high resolution in both space and time, providing opportunities for enhanced atmospheric sampling. Furthermore, advances in mesoscale weather research and forecasting (WRF) modeling and graphical processing unit (GPU) computing have enabled high resolution weather modeling. In this manuscript, a balloon-launched unmanned glider, complete with a suite of sensors to measure atmospheric temperature, pressure, and relative humidity, is deployed for validation of real-time weather models. This work demonstrates the usefulness of sUAS for validating and improving ...


The Effects Of Reactant Concentration And Air Flow Rate In The Consumption Of Dissolved O2 During The Photochemistry Of Aqueous Pyruvic Acid, Alexis J. Eugene, Marcelo I. Guzman Mar 2019

The Effects Of Reactant Concentration And Air Flow Rate In The Consumption Of Dissolved O2 During The Photochemistry Of Aqueous Pyruvic Acid, Alexis J. Eugene, Marcelo I. Guzman

Chemistry Faculty Publications

The sunlight photochemistry of the organic chromophore pyruvic acid (PA) in water generates ketyl and acetyl radicals that contribute to the production and processing of atmospheric aerosols. The photochemical mechanism is highly sensitive to dissolved oxygen content, [O2(aq)], among other environmental conditions. Thus, herein we investigate the photolysis (λ ≥ 305 nm) of 10–200 mM PA at pH 1.0 in water covering the relevant range 0 ≤ [O2(aq)] ≤ 1.3 mM. The rapid consumption of dissolved oxygen by the intermediate photolytic radicals is monitored in real time with a dissolved oxygen electrode. In addition, the rate ...