有機染料分子因其獨特的光學和電子特性，在各種應用中發揮著至關重要的 作用。這些染料分子具有吸收和放射光的能力，在光能轉化為電信號的過程中有 著關鍵作用。然而，由於其三重態的壽命較長，這增加了它們與環境中的三重態 氧分子發生交互作用的機會，進而導致有機染料分子被永久性破壞並影響整體效 率。本論文探討了透過耦合至單模腔體或表面電漿子來抑制有機染料分子光氧化 的方法。
第二章介紹了兩種計算開放量子系統演化的方法:波恩-馬可夫主方程式 (BMME) 和階層運動方程式 (HEOM)。BMME 受限於只能描述弱交互作用，而 HEOM 方法可以透過數值方法描述強耦合動力學。
第三章展示了兩種模型:將染料分子耦合至光學共振腔以及讓染料分子與表 面電漿子產生交互作用。染料分子與其環境之間的強耦合產生了上下極化子本徵 態，為激發單重態提供了新的鬆弛途徑，從而減少了單重態向三重態的轉移，進 一步抑制了氧化。
在腔體耦合模型中，可以透過調節腔體的耗散和耦合強度來控制氧化速率。 這一機制還涉及量子芝諾效應。與 BMME 相比，HEOM 在模擬強耦合條件下 的動力學時更為準確。
另一方面，在染料分子與表面電漿子耦合的模型中，我們發現調整共振頻率 和染料分子與奈米金屬球之間的距離會影響抗氧化程度。表面電漿子的光譜密度 展示了來自偶極模態和偽模態的不同貢獻，其相對強度取決於染料分子與奈米金 屬球之間的距離。當距離接近至 2 奈米到 1 奈米時，HEOM 方法與 BMME 的 結果出現差異，這表示 HEOM 提供了更準確的預測。
我們的理論框架為未來的實驗研究和性能更佳、更耐久的先進有機光電子器 件的開發奠定了基礎。透過詳細的分析和數值模擬，這項研究為設計具有更高耐 久性和功能性的改進光子器件提供了寶貴見解，有助於推動光電子技術的進步。

Organic dye molecules are crucial in various applications due to their unique optical and electronic properties. They absorb and emit light, playing a key role in converting light energy into electrical signals. However, their long-lived triplet states increase interactions with triplet oxygen molecules, leading to damage and reduced device efficiency. This thesis explores the suppression of photo-oxidation in organic chromophores through coupling to a single-mode cavity or surface plasmons.
Chapter 2 introduces two approaches for calculating the evolution of an open quantum system: the Born-Markov master equation (BMME) and the hierarchical equations of motion (HEOM). The BMME is restricted to the weak coupling regime, while the HEOM approach can describe strong coupling dynamics through numerical methods.
Chapter 3 demonstrates two models: coupling a dye molecule to a cavity and coupling a dye molecule to surface plasmons. Strong coupling between the dye molecule and its environment generates upper and lower polaritonic eigenstates, providing new relaxation pathways for the excited singlet state and reducing singlet-to- triplet state transfer, thereby suppressing the oxidation.
In the cavity coupling model, the oxidation rate can be controlled by adjusting the cavity's dissipation and the coupling strength. This mechanism also involves the quantum Zeno effect. The HEOM approach is more accurate in simulating the dynamics under strong coupling conditions compared to BMME.
In the surface plasmon coupling model, we find that adjusting resonant frequencies and the distance between dye molecules and nanoparticles can affect the degree of anti- oxidation. The spectral density of the localized surface plasmons (LSPs) exhibits distinct contributions from the dipole and pseudo modes, with their relative strengths depending on the chromophore-metal nanoparticle distance. Differences between HEOM and BMME results become apparent at close distances (2 nm to 1 nm), with HEOM offering more accurate predictions.
This theoretical framework supports future experimental research and the development of advanced organic optoelectronic devices with improved performance and durability. Through the detailed analysis and numerical simulations, we aim to provide valuable insights for designing more durable and functional photonic devices, advancing optoelectronic technology.

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