摘要
1H-1,2,3-Triazole在石墨烯表面的熱化學研究，由TPD顯示分子發生部份脫附；部份裂解且在同一溫度217 K，其芳香環平行石墨烯表面有π-π interaction，造成表面脫附溫度會略高於金屬Cu (111)的溫度202 K，前者分子是以逐層方式堆積生長；後者則以島嶼狀模式成長。而光化學研究部份，使用了兩種不同的UV光源，RAIRS觀察照光過程長達四小時皆未發現任何光反應跡象。Phenyl isocyanate在石墨烯表面的熱化學研究，RAIRS變溫光譜發現出現一支2341 cm-1訊號峰，推測有部份分子的N=C=O基團氧的孤電子與表面形成配位鍵，使得ν (N=C=O) 頻率較正常藍位移，而TPD在190 K除了分子脫附峰，即使照射365 nm LED光仍未見任何光產物，因此判斷分子未發生熱化學與光化學反應。

關鍵字:超高真空、化學氣相沉積石墨烯、UV發光二極體、1H-,1,2,3-三唑、苯基異氰酸酯

Abstract
In the thermochemical study of 1H-1,2,3-Triazole adsorbed on graphene, TPD showed both molecular desorption and decomposition occur at 217 K. The ring is parallel to the basal plane of graphene via π-π interaction, resulting in a surface higher desorption peak temperature than that on clean Cu (111). While the former molecules adsorb in a layer by layer fusion, the latter is deposited by an island growth mode. In the photochemical studies, using two different UV light sources, RAIRS observed no reactions to take place during four hours irradiation period. In the thermochemical study of phenyl isocyanate on graphene, a new 2341 cm-1 feature grows upon annealing, which is attributed the dative bond between the lone pair electrons of the oxygen in N = C = O to the surface, making the N = C = O stretching frequency blue shift. TPD showed only molecules at 190 K with without the 365 nm irradiation, no thermochemical and photochemical reactions occur.

Keyword: ultrahigh vacuum, CVD graphene, UV LED, 1H-1,2,3-Triazole, Phenyl isocyanate

目錄
第壹章、 介紹 1
1-1 研究背景 1
1-2 研究動機 7
第貳章、實驗設備與方法 11
2-1 超高真空系統與實驗設備 11
2-1-1 程溫脫附實驗 (TPD) 13
2-1-2 反射式吸收紅外光譜 (RAIRS) 14
2-1-3 歐傑電子能譜 (AES) 17
2-2 密度泛涵理論計算 (density function theory calculations, DFT) 17
2-3 紫外光 (UV)點光源 18
2-4 石墨烯、Cu (111)單晶及實驗藥品 19
2-4-1 石墨烯的製備 19
2-4-2 Cu (111)單晶 21
2-4-3 實驗藥品 22
第參章、實驗結果 (呈現與詮釋) 23
3-1 1H-1,2,3-Triazole在石墨烯表面之熱化學與光化學研究 23
3-1-1 熱化學研究 23
3-1-2 光化學研究 37
3-2 1H-1,2,3-Triazole在Cu (111)表面之熱化學與光化學研究 37
3-2-1 熱化學研究 37
3-2-2 光化學研究 40
3-3 Phenyl isocyanate在石墨烯表面之熱化學與光化學研究 43
3-3-1 熱化學研究 43
3-3-2 光化學研究 47
第肆章、結果與結論 50
4-1 推論1H-1,2,3-Triazole熱化學反應形成終產物之路徑 50
4-2 1H-1,2,3-Triazole光化學反應之基質光譜鑑定 53
4-3 Phenyl isocyanate在金屬表面鍵結模式 54
4-4 結論 55
第伍章、參考文獻 56

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