Woojin Jeon. (2024). Red-Selectivity and Linear Dynamic Range Improvement of Organic Photodetectors with DFT Calculation. doi: 10.22677/THESIS.200000730481
Type
Thesis
Description
Organic Photodetector;Red selectivity;Narrow-wide copolymer;Diarylethene;Linear dynamic range
Table Of Contents
1. Introduction 1 1.1 Organic photodetector 1 1.2 Full color image sensing 2 1.3 Photo switchable molecules (Diarylethene) · 3 1.4 Increasing linear dynamic range 13 1.5 Narrow-wide copolymer design strategy 15
2. Method 17 2.1 Candidates to calculate 17 2.2 Theoretical backgrounds of Density Functional Theory (DFT) · 20 2.2.1 Many-body approximation · 20 2.2.2 Born-Oppenheimer approximation · 21 2.2.3 Kohn-Sham equation 21 2.2.4 Hohenberg-Kohn theorem 23 2.2.5 Exchange-correlation functional · 24 2.2.6 Gaussian type basis set 25 2.3 Backgrounds of Time Dependent Density Functional Theory (TDDFT) 27 2.4 Transition state searching by Gaussian 30 2.5 Calculation details · 31
3. Result 34 3.1 RS of narrow-wide copolymer & counter unit 34 3.2 Changing wide unit with DPP unit 35 3.3 Non DPP unit · 37 3.4 Cycloreversion energy diagram · 37 3.5 Action of DAE as n-traps 42
