Title

Red-Selectivity and Linear Dynamic Range Improvement of Organic Photodetectors with DFT Calculation

Alternative Title

DFT 계산을 이용한 유기광센서의 붉은빛에 대한 선택적 흡수 및 선형동적범위의 개선

DGIST Authors

Woojin Jeon ; Yunhee Jang ; Yves Lansac

Advisor

장윤희

Co-Advisor(s)

Yves Lansac

Issued Date

2024

Awarded Date

2024-02-01

Citation

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

4. Conclusion 46

URI

http://hdl.handle.net/20.500.11750/48080
http://dgist.dcollection.net/common/orgView/200000730481

DOI

10.22677/THESIS.200000730481

Degree

Master

Department

Department of Energy Science and Engineering

Publisher

DGIST

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