Ag-Cu-Se-Te 四元系統的相平衡、相生成與相轉變

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研究生：	游翰思 Hutabalian, Yohanes
論文名稱：	Ag-Cu-Se-Te 四元系統的相平衡、相生成與相轉變 Phase formation, phase equilibria, and phase transformation of the Ag-Cu-Se-Te quaternary system
指導教授：	陳信文 Chen, Sinn-Wen
口試委員:	汪上曉 Wong, Shang-Hsiao 高振宏 Kao, C. Robert 紀渥德 Gierlotka, Wojciech 吳欣潔 Wu, Hsin-Jay
學位類別：	博士 Doctor
系所名稱：	工學院 - 化學工程學系 Department of Chemical Engineering
論文出版年：	2023
畢業學年度：	111
語文別：	英文
論文頁數：	186
中文關鍵詞：	Ag-Cu-Se-Te 、相圖、相圖計算、四元系統、熱電
外文關鍵詞：	Ag-Cu-Se-Te, Phase Diagram, Calphad, Quaternary, Thermoelectric
相關次數：	點閱：1 下載：0
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相圖對於了解相的生成以及相變是不可或缺的資訊，對於設計新的合金以適用新型應用和優化材料的製備過程更是如此。Ag-Cu-Se-Te四元系統為重要的熱電材料應用系統，研究Ag-Cu-Se-Te四元系統相圖，對於獲得材料的基礎知識至關重要，而進一步地深入探討，對於提升Ag-Cu-Se-Te四元作為熱電材料的應用價值有著一定程度的影響力。Ag-Cu-Te-Se四元系統包含六個二元子系統及四個三元子系統。六個二元子系統分別是Ag-Cu、Ag-Te、Ag-Se、Cu-Te、Cu-Se和Se-Te；四個三元子系統則是Ag-Cu-Te，Ag-Se-Te，Ag-Cu-Se和Cu-Se-Te。本研究的目的為利用實驗與Calphad計算方法建構Ag-Cu-Te-Se四元系統之相平衡。例如，利用等溫橫截面、液相線投影圖及擴散偶的界面反應等實驗數據建立相圖，同時，使用Calphad方法進行二元、三元子系統的相圖計算。
本研究藉由實驗方式探討了Ag-Cu-Te、Ag-Se-Te、Ag-Cu-Se與Cu-Se-Te三元子系統之等溫橫截面圖。實驗技術包含使用X光繞射儀（XRD）、掃描式電子顯微鏡（SEM）、電子微探儀分析（EPMA）和差熱分析（DTA）以研究250℃至600℃的相平衡以及相變資訊。不僅如此，本研究也提出了Ag-Se-Te、Ag-Cu-Se和Cu-Se-Te系統的液相線投影圖。另一方面，一些與相圖相關的擴散反應偶也於本研究中進行探討，並利用相圖解釋其反應機制與主要擴散元素，包含350°C之Ag / Se界面反應，350°C之Ag / Se-30at％Te界面反應，350°C之Ag2Te / Se界面反應以及300°C之Cu2Te / Se界面反.
應以Calphad方法計算Ag-Se、Cu-Te、和Ag-Te二元子系統以及Ag-Se-Te和Cu-Se-Te三元子系統相圖之結果與實驗結果有良好的一致性。然而，由於實驗數據的缺乏，本研究並未包含Ag-Cu-Se與Ag-Cu-Te三元子系統之計算結果。其中，在進行Ag-Cu-Se與Ag-Cu-Te三元合金於300°C至600°C之相平衡實驗的過程中，觀察到銀鬚晶及銅鬚晶的生長現象，此結果顯示壓力釋放造成鬚晶的生長。
根據Ag-Cu-Se-Te四元系統相圖所提供的資訊，本研究也測量了Ag2Te摻雜Cu2Se之熱電性質，並於Ag2Te基底相 (matrix phase) 觀察到AgCuTe析出。Cu2Se的摻雜並未顯示良好的電性質，因此導致ZT值降低。

Phase diagram is indispensable to understanding the phase formation or transformation, designing new alloys for advanced application and optimizing the material processing. The Ag-Cu-Se-Te materials are crucial for thermoelectric applications. Therefore, studying the phase diagrams of the Ag-Cu-Se-Te quaternary system is critical for gaining a fundamental understanding of these materials. Addressing the resulting challenges will be pivotal in unlocking the full potential of Ag-Cu-Se-Te alloys for thermoelectric application. Six binaries and four ternaries are needed to construct the quaternary system. The six binaries are Ag-Cu, Ag-Te, Ag-Se, Cu-Te, Cu-Se and Se-Te, while the four ternaries are Ag-Cu-Te, Ag-Se-Te, Ag-Cu-Se and Cu-Se-Te. This study aims to determine the phase equilibria of the Ag-Cu-Te-Se system using experimental and calculation Calphad-approach. Experimental data such as isothermal sections and liquidus projections, and reactions on the diffusion couples were studied to construct the phase diagrams. Meanwhile, the Calphad-method was used to calculate the phase equilibria of the binary and ternary systems.
The isothermal sections of Ag-Cu-Te, Ag-Se-Te, Ag-Cu-Se, Cu-Se-Te systems were experimentally measured. Various experimental techniques, X-ray diffraction (XRD), scanning electron microscopy (SEM), electron probe microanalysis (EPMA) and differential thermal analysis (DTA) were employed to study the phase equilibria and phase transformation between 250oC and 600°C. Further, the liquidus projection in the Ag-Se-Te, Ag-Cu-Se and Cu-Se-Te systems are proposed. In addition, some reaction couples that are related to the phase diagrams are also studied. Those reaction couples were studied as follows: Ag/Se at 350oC, Ag/Se-30at%Te at 350oC, Ag2Te/Se at 350oC, and Cu2Te/Se at 300oC. The determined phase diagrams are used to explain the reaction mechanisms and the fastest diffusion element.
The binary systems of Ag-Se, Cu-Te, and Ag-Te, as well as the ternary systems of Ag-Se-Te and Cu-Se-Te, were modeled using the Calphad-method. The calculated results demonstrated good agreement with experimental data. However, the study did not include calculations for the Ag-Cu-Se and Ag-Cu-Te ternary systems due to a lack of experimental data. In addition, during the equilibration of the alloys in the Ag-Cu-Se and Ag-Cu-Te ternary systems at temperatures ranging from 300°C to 600°C, the growth of silver and copper whiskers was observed. The results suggest that the whisker’s growth is due to stress relief.
Based on the phase diagram information of the Ag-Cu-Se-Te quaternary system. The thermoelectric properties of Ag2Te doped with Cu2Se were measured. The AgCuTe precipitates were observed in the Ag2Te matrix phase, and the Cu2Se doping did not show a good electrical property, thus, resulting in a decrease in the ZT values.

Content

Abstract    i
摘要    iii
Acknowledgement    iv
Content    v
List of Figures    ix
List of Tables    xv
1.    Introduction    1
1.1.    Motivation    1
1.2.    Objective of the thesis    2
1.3.    Present contribution    2
2.    Fundamentals    4
2.1.    Phase rule and phase equilibrium    4
2.2.    Diffusion couple and phase diagram    4
2.3.    Literature review phase equilibria of Ag-Cu-Se-Te system    5
2.3.1.    Ag-Cu binary system    5
2.3.2.    Ag-Se binary system    5
2.3.3.    Ag-Te binary system    5
2.3.4.    Cu-Se binary system    6
2.3.5.    Cu-Te binary system    6
2.3.6.    Se-Te binary system    6
2.3.7.    Ag-Cu-Se ternary system    6
2.3.8.    Ag-Cu-Te ternary system    6
2.3.9.    Ag-Se-Te ternary system    7
2.3.10.    Cu-Se-Te ternary system    7
2.3.11.    Ag-Cu-Se-Te quaternary system    7
3.    Methods    11
3.1.    Preparation samples for phase equilibria    11
3.2.    Preparation the diffusion couples    11
3.3.    Characterization samples    11
3.4.    Calphad-type    12
4.    Results and discussion    14
4.1.    Phase equilibria of the Ag-Cu-Se ternary system    14
4.1.1.    Introduction    15
4.1.2.    Experimental procedure    16
4.1.3.    Results and discussion    16
a.    Isothermal section at 300oC    16
b.    Isothermal section at 500oC    17
c.    Liquidus projection    18
4.1.4.    Conclusions    18
4.2.    Phase equilibria of the Ag-Cu-Te ternary system    32
4.2.1.    Introduction    33
4.2.2.    Results and discussion    33
a.    Isothermal section of the Ag-Cu-Te system at 600oC    33
b.    Isothermal section of the Ag-Cu-Te system at 400oC    40
4.2.3.    Conclusions    42
4.3.    Thermodynamic modeling of the Ag-Se binary system    46
4.3.1.    Introduction    47
4.3.2.    Calphad-method modeling    47
4.3.3.    Ab initio calculation    48
4.3.4.    Results and discussion    48
4.3.5.    Conclusions    54
4.4.    Interfacial reactions in Ag/Se, Ag/Se-30at.%Te, Ag2Te/Se couples and phase equilibria of the Ag-Se-Te ternary system    55
4.4.1.    Introduction    56
4.4.2.    Results and discussion    56
a.    Isothermal section at 350oC    56
b.    Ag/Se reaction couple    60
c.    Ag/Se-30at.%Te    63
d.    Ag2Te/Se    67
4.4.3.    Conclusion    71
4.5.    Phase equilibria of the Ag-Se-Te ternary systems    73
4.5.1.    Introduction    74
4.5.2.    Experimental procedure    74
4.5.3.    Thermodynamic models    75
a.    Pure elements    75
b.    Solution phase    76
c.    Intermetallic compound    76
d.    Sublattice model    76
4.5.4.    Results and discussion    76
a.    Isothermal section at 400oC    76
b.    Isothermal section at 250oC    78
c.    Liquidus projection    79
d.    Calphad-approach of the Ag-Se-Te ternary system    79
4.5.5.    Conclusions    80
4.6.    Phase equilibria of the Cu-Se-Te ternary system at 300 oC and interfacial reaction in Cu2Te/Se couples at 300oC    104
4.6.1.    Introduction    105
4.6.2.    Results and discussion    106
a.    Isothermal section of the Cu-Se-Te system at 300oC    106
b.    Interfacial reaction of Cu2Te/Se couple at 300oC    116
4.6.3.    Conclusions    119
4.7.    Phase equilibria of the Cu-Se-Te ternary systems    121
4.7.1    Introduction    122
4.7.2    Results and discussion    122
4.7.3    Liquidus projection    124
a.    Cu2(Se,Te) primary phase    125
b.    1 primary phase    125
c.    2 primary phase    125
d.    (Se,Te) primary phase    126
4.7.4    Thermodynamic modeling and phase diagram calculation    126
a.    Solid solution phase    127
b.    Intermetallic phase    127
c.    Liquid phase    128
4.7.5    The binary systems    128
4.7.6    The ternary system    129
4.7.7    Conclusions    130
4.8.    Thermoelectric properties of Ag2Te - y%Cu2Se crystals    155
4.8.1    Introduction    156
4.8.2    Experimental procedure    156
4.8.3    Results and discussion    157
4.8.4    Conclusions    158
5.    Summary    163
References    167
Author’s Publications    177
Appendix    179


                                

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