| 학회 |
한국공업화학회 |
| 학술대회 |
2022년 봄 (05/11 ~ 05/13, 제주국제컨벤션센터(ICC JEJU)) |
| 권호 |
26권 1호 |
| 발표분야 |
[디스플레이] 미래형 디스플레이용 페로브스카이트/양자점 발광체 및 소자 |
| 제목 |
Digital chemistry platform for solution processing of quantum dots |
| 초록 |
Quantum dots (QD) require solution processing due to their size while they offer a strong advantage for large-area displays with superior color reproduction for electroluminescent and color conversion applications. Here, we demonstrate the power of atomistic-scale simulations for screening and optimizing the chemical setup for solution processing of QDs. Classical molecular dynamics (MD) simulations can be used to determine the thermochemical stability of multi-component materials systems, such as solution-processed QDs. Using the GPU-accelerated MD technology, we investigate the thermochemical compatibility between surface chemistry of QDs and solvent selections, providing cost-effective design tactics for the solution processing chemistry. The study also illustrates how enterprise solutions can be used to manage large-scale simulations and machine learning data, offering a digital chemistry platform over a wide range of display applications. |
| 저자 |
곽현욱 |
| 소속 |
Schrödinger |
| 키워드 |
Quantum dot; solution processing; molecular dynamics; digitalization; simulation
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| E-Mail |
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