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Smart Molecular Design for Tuning Electronic Properties of n-Type Nanostructures

This research explores innovative strategies for controlling electronic properties in one-dimensional n-type nanostructures through the pyrazine-acene series. By modifying specific components of these molecules, we successfully tuned the LUMO energy levels and compressed the HOMO-LUMO energy gap. The newly designed pyrazine-acene Series II molecules showed vibrant colors indicating effective gap control, with energy levels ranging from -3.27 eV to -6.11 eV for ELUMO and EHOMO, respectively. Results enhance the understanding of molecular design in nanotechnology applications.

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Smart Molecular Design for Tuning Electronic Properties of n-Type Nanostructures

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  1. Smart Molecular Design for One-Dimensional n-Type Nanostructures: Controlling Electronic Properties and MorphologiesDong-Chan Lee, University of Nevada Las Vegas, DMR 0846479 Pyrazine-Acene Series I Through collaborative investigations involving both experimental and theoretical techniques, we found that the energy level of LUMO (ELUMO) can be effectively tuned by modifying a specific portion of Pyrazine-Acenes (Series I). In addition, HOMO-LUMO energy gap (Egap) was compressed as a result of lowering ELUMO. Learning from Pyrazine-Acene Series I, we designed five new molecules (Series II), which can tune not only ELUMO but EHOMO as well, to tune Egap more effectively. Pyrazine-Acene Series II molecules have been successfully synthesized, and they showed colors from orange to green, which is indicative of effective Egap control. -3.27eV -3.43eV -3.54eV ELUMO -3.87eV -3.95eV EHOMO -5.86eV -5.93eV -6.01eV -6.04eV -6.11eV Pyrazine-Acene Series II

  2. Smart Molecular Design for One-Dimensional n-Type Nanostructures: Controlling Electronic Properties and MorphologiesDong-Chan Lee, University of Nevada Las Vegas, DMR 0846479 1) High School Student Research Experience Programs (7/9/2012-8/3/2012) Participants: Ms. Myrene Dizon (Basic High School AP Chemistry) 2) The PI hosted a field trip for Basic High School AP Chemistry students including a seminar and lab tour. 3) The PI has continuously provided research experience for undergraduate students to encourage their involvement in science. 4) The findings from this project year have been disseminated in two seminars at Kyungpook National University and Daegu Gyeongbuk Institute of Science and Technology in South Korea. Ms. Myrene Dizon from Basic High School (Henderson, NV) Cross-polarized optical micrograph of a tightly twisted ribbon self-assembled by Ms. Dizon (image size 110 μm × 110 μm).

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