Bi2O3為低能隙半導體材料，近年來開始受到廣泛的注意應用作為可見光驅動光催化劑。為有效提升光催化效率，本研究致力於開發奈米尺度之Bi2O3。本研究的第一部分選用水熱法合成Bi2O3，調整沉澱劑尿素濃度、 [Bi3+]濃度，熱處理溫度等參數，分析所得產物之相組成與製程參數之關係，實驗結果顯示添加分散劑PVP可抑制晶粒成長，水熱所得產物為100 nm、單一粒徑分佈之球形粒子，經熱處理320ºC與400ºC可分別獲得-Bi2O3 與-Bi2O3。本研究的第二部分則選用光催化降解染料效率較高之-Bi2O3進行深入研究，使用水熱法以及常溫化學沈澱法製成不同形貌之α-Bi2O3，並以球磨進行將之研磨至奈米尺寸。探討-Bi2O3晶體形貌及比表面積、特定晶面以及能帶結構等材料特性，對於光催化降解甲基橙（MO），以及光催化產氫效率的影響。實驗結果證實，α-Bi2O3（2 0 0）面之價帶具有較高的載子移動力，有利於光催化反應的進行，以常溫化學沈澱法、並經球磨48小時所得的α-Bi2O3，因具有較高比例的(2 0 0)晶面，以及高反應表面積，具有最高的光降解甲基橙染料效率及產氫率，產氫率更高達498 μmol g-1 h-1。

In this study, the hydrothermal method and the chemical precipitation method at room temperature were used to synthesize α-Bi2O3 with different morphologies, and the grains were reduced to nano-scale by ball milling. The absorption bands of α-Bi2O3 in the two processes are all in the visible light range. The XRD analysis results confirm that the needle columnar α-Bi2O3 prepared by the chemical precipitation method at room temperature retains a relatively high proportion of (2 0 0) crystal planes before and after ball milling. In this study, the effects of specific surface area and specific crystal planes on the photocatalytic degradation of methyl orange (MO) and the photocatalytic hydrogen production efficiency were compared. The energy of α-Bi2O3 on the (2 0 0) and (1 2 0) planes was calculated by density functional theory. The density of states distribution and band structure. Combined with the experimental and theoretical research results, it is confirmed that the valence electrons on the α-Bi2O3 (200) surface have higher carrier mobility, which benefits the photocatalytic reaction. The α-Bi2O3 obtained by the chemical precipitation method at room temperature has a higher proportion of (200) crystal planes. After the surface area of the reaction is increased by ball milling, it has the highest photodegradable MO dye, and its hydrogen production rate is as high as 498 μmol g-1 h-1.

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