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化学传感器：仿真与建模 第1卷 金属氧化物的显微结构表征与建模 上 英文影印版【2025|PDF下载-Epub版本|mobi电子书|kindle百度云盘下载】

化学传感器：仿真与建模 第1卷 金属氧化物的显微结构表征与建模 上 英文影印版
  • （摩尔）科瑞特森科韦主编 著
  • 出版社： 哈尔滨：哈尔滨工业大学出版社
  • ISBN：7560349008
  • 出版时间：2015
  • 标注页数：216页
  • 文件大小：45MB
  • 文件页数：233页
  • 主题词：

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图书目录

1 MICROSTRUCTURAL CHARACTERIZATION OF TIN DIOXIDE THIN FILMS&J.Wang Z.Jiao M.H.Wu C.-H.Shek C.M.L.Wu J.K.L.Lai Z.W.Chen1

1 Introduction1

2 Growth and Nucleation of Thin Films2

3 Multifractal Spectra of SEM Images of Thin Films11

4 Microstructural Evolution of Nanocrystalline SnO2 Thin Films16

5 Concluding Remarks24

6 Acknowledgments24

References24

2 MICROSTRUCTURAL EVOLUTION BY IN-SITU TEM OBSERVATIONS AND SIMULATIONS&Hiromi Nakano Hidehiko Tanaka29

1 Introduction29

2 In-Situ TEM Observation Method30

3 In-Situ Measurements of Phase Transitions of Metal Oxides31

4 In-Situ Observation of Thermal Behavior of BaTiO3 Grains35

5 In-Situ Observation of Grain Growth of Metal Oxides38

5.1 Grain Growth of Spherical Grains of BaTiO338

5.2 Grain Growth of Faceted Grains of Ba5Nb4O1540

5.3 New Theory of Grain Growth and Sintering for Simulation42

6 Summary45

7 Acknowledgments45

References46

3 RAMAN SPECTROSCOPY OF OXIDE MATERIALS&T.Pagnier49

1 Introduction49

2 Raman Spectroscopy Basics50

2.1 The Raman Effect50

2.2 Raman Spectrometers53

2.3 Other Vibrational Spectroscopy Techniques55

3 Structure Determination by Raman Spectroscopy55

3.1 Basic Structural Characterization55

3.2 Oxide Mixtures and Solid Solutions59

4 The Nanostate:Nanopowders and Nanowires59

4.1 SnO2 Nanopowders60

4.2 WO3 Nanopowders62

4.3 Other Oxides63

4.4 Nanowires,Nanobelts,and Nanoribbons63

4.5 Mixed Oxides65

5 Synthesis of Nano-Objects66

6 Interactions with Gaseous Species67

7 Calculations of Raman Spectra72

8 Conclusion74

References74

4 MICROSTRUCTURAL AND SURFACE MODELING OF SNO2 USING DFT CALCULATIONS&J.D.Prades A.Cirera G.Korotcenkov B.K.Cho81

1 Introduction81

2 DFT-Based Approaches to Simulation and Modeling of Structural Properties and Surface Chemistry of Metal Oxides83

2.1 Surface and Bulk Models83

2.2 Bulk Stability91

2.3 Surface Stability95

2.4 Stability of Nanoparticles104

2.5 Chemisorption108

3 DFT Models and Results Related to SnO2 Characterization123

3.1 SnO and SnO2 Bulk Properties124

3.2 SnO2 Surface Properties127

3.3 Molecular Adsorption137

3.4 Dopants and Their Role in Structural and Surface Properties of the SnO2145

4 Conclusion148

5 Acknowledgments149

References149

5 DENSITY FUNCTIONAL THEORY MODELING OF ZNO FOR GAS SENSOR APPLICATIONS&M.J.S.Spencer163

1 Introduction163

2 Metal Oxides for Gas Sensing164

2.1 ZnO for Gas Sensing167

3 Theoretical Methods for Studying Gas-Sensor Reactions169

3.1 Density Functional Theory169

3.2 Theoretical Approach to Studying ZnO Surfaces170

4 Examples of DFT Studies of Gas-ZnO Sensor Reactions179

4.1 Nitrogen Oxides(NO,NO2,N2O)180

4.2 Ethanol(CH3CH2OH)198

5 Conclusions and Outlook209

6 Acknowledgments210

References210

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