臺灣博碩士論文加值系統

在本篇論文中，我們以固態燒結法在823 K下合成四元硒化物，而我們也在Ag-Ge-Sb-Se這個系統中取得三顆單晶，並藉由X光單晶繞射解析其結構，此外我們也測試這些化合物的物理性質並進行討論。
三個硒化物：分別為Ag2.92(2)Ge1.15(3)Sb6.92(2)Se13、Ag3.3(3)Ge2.3(1)Sb7.4(3)Se15和Ag4.72(2)Ge0.56(2)Sb8.72Se16，都是具有pavonite homologous series (NP)結構但N值分別為8、10和11的硒合物。三種化合物皆屬於單斜晶系，Ag2.92(2)Ge1.15(3)Sb6.92(2)Se13的空間群為C2/m，晶格常數為：a=13.5656(8) Å，b=4.0940(2) Å，c=22.020(1) Å，=91.739°，V=1222.4(1) Å3，Z=2。而Ag3.3(3)Ge2.3(1)Sb7.4(3)Se15和Ag4.72(2)Ge0.56(2)Sb8.72Se16 的空間群皆為Cm，晶格常數分別為：a=13.510(2)/13.579(2) Å，b=4.0844(3)/4.0935(7) Å，c=26.328(3)/27.392(5) Å，=104.82(1)/96.513(4)°，V=1404.4(3)/1512.8(4) Å3，Z=2/2。其中，Ag4.72(2)Ge0.56(2)Sb8.72Se16是目前在pavonite系列中具有『最大N值』的化合物；並且這三種化合物也是在系列中少見的『用同樣的元素系統合成出具有不同N值』的新硒化物。在其物理性質的探討中，不管是在導電度的測量，以及在紫外光-可見光光譜中，三種硒化物都具有半導體的特性。

In this thesis, we synthesized the quaternary selenide by the solid-state reaction at 823 K. The structures were determined with single crystal X-ray diffraction. In addition, we also carried out the measurements of the physical properties.
Three selenide, namely Ag2.92(2)Ge1.15(3)Sb6.92(2)Se13, Ag3.3(3)Ge2.3(1)Sb7.4(3)Se15 and Ag4.72(2)Ge0.56(2)Sb8.72Se16, adopted the pavonite-typed structure with different order number N. All selenides crystallized in monoclinic crystal system: the space group of Ag2.92(2)Ge1.15(3)Sb6.92(2)Se13 was C2/m and its cell parameters were a = 13.5656(8) Å, b = 4.0940(2) Å, c = 22.020(1) Å, = 91.739°, V = 1222.4(1) Å3, Z=2; while the space group of Ag3.3(3)Ge2.3(1)Sb7.4(3)Se15 and Ag4.72(2)Ge0.56(2)Sb8.72Se16 was Cm and theirs cell parameters were a = 13.510(2)/13.579(2) Å, b = 4.0844(3)/4.0935(7) Å, c = 26.328(3)/27.392(5) Å, = 104.82(1)/96.513(4)°, V = 1404.4(3)/1512.8(4) Å3, Z=2/2, respectively. Ag4.72(2)Ge0.56(2)Sb8.72Se16 is the one with the largest order number N in the pavonite homologous series; and these three selenides, which were synthesized in the same system for different order number N, were rare in pavonite series. The measurements of the physical properties showed the three selenides had semiconductor behaviors.

摘要 i
Abstract ii
Contents iii
List of Tables iii
List of Figures v
Chapter 1 Introduction 1
1.1. General introduction 1
1.2. Homologous series 2
1.3. Motivation 8
Chapter 2 Experimental Section 9
2.1. Synthesis 9
2.2. Single crystal X-ray diffraction 9
2.3. Characterization 10
2.4. Physical properties 11
2.5. Theoretical calculations of the electronic structure 11
Chapter 3 Results and Discussion 13
3.1. Synthesis 13
3.2. Single crystal X-ray diffraction 21
3.3. Physical properties 37
3.4. Theoretical calculations of the electronic structure 39
Chapter 4 Conclusion 43
Reference 44

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