《傳感材料與傳感技術叢書》中第一個影印系列MOMENTUM PRESS 的Chemical Sensors : Fundamentals of Sensing Materials & Comprehensive Sensor Technologies(6卷，影印為10冊)2013年出版后，受到了專家學者的一致好評。為了滿足廣大讀者進一步的教學和科研需要，本次影印其ChemicalSensors：Simulation and Modeling系列5卷，每卷均分為上下冊)。本書是第1卷Microstructural Characterization and Modeling of Metal Oxides的下冊(第1卷6～11章內容)。
Ghenadii Korotcenkov, received his Ph.D. in Physics and Technology of Semiconductor Materials and Devices in 1976, and his Habilitate Degree (Dr.Sci.) in Physics and Mathematics of Semiconductors and Dielectrics in 1990. For a long time he was a leader of the scientific Gas Sensor Group and manager of various national and international scientific and engineering projects carried out in the Laboratory of Micro- and Optoelectronics, Technical University of Moldova. Currently, Dr. Korotcenkov is a research professor at the Gwangju Institute of Science and Technology, Republic of Korea.
Specialists from the former Soviet Union know Dr. Korotcenkov's research results in the field of study of Schottky barriers, MOS structures, native oxides, and photoreceivers based on Group IIIH-V compounds very well. His current research interests include materials science and surface science, focused on nanostructured metal oxides and solid-state gas sensor design. Dr. Korotcenkov is the author or editor of 11 books and special issues, 11 invited review papers, 17 book chapters, and more than 190 peer-reviewed articles. He holds 18 patents, and he has presented more than 200 reports at national and international conferences.
Dr. Korotcenkov's research activities have been honored by an Award of the Supreme Council of Science and Advanced Technology of the Republic of Moldova (2004), The Prize of the Presidents of the Ukrainian, Belarus, and Moldovan Academies of Sciences (2003), Senior Research Excellence Awards from the Technical University of Moldova (2001, 2003, 2005), a fellowship from the International Research Exchange Board (1998), and the National Youth Prize of the Republic of Moldova (1980), among others.
PREFACE
ABOUT THE EDITOR
CONTRIBUTORS
6 MODELING INTERACTION OF METAL OXIDE SURFACES WITH WATER
1 Introduction
2 Metal Oxide-Water Interactions and Their Study
2.1 General Oxide Properties and Surface Processes
2.2 Experimental Methods
2.3 Computer Simulations
2.4 Theoretical Models
3 Electronic Structure and Surface Reactions
3.1 TiO2
3.2 SnO2
3.3 ZnO
4 Thermodynamic and Structural Aspects of Adsorption
4.1 TiO2
4.2 SnO2
4.3 ZnO
5 Dynamics of Adsorbed Water
5.1 Fast Processes-Proton Motion
5.2 Slow Processes-Molecular Motion
6 Perspectives
7 Acknowledgments
References
7 DENSITY FUNCTIONAL THEORY STUDY OF WATER DISSOCIATVE CHEMISORPTION ON METAL OXIDE SURFACES
1 Introduction
2 Catalytic Water Dissociation on Metal Oxide Surfaces
2.1 Water Dissociative Chemisorption on Fe3O4(111) Surfaces
2.2 Water Dissociative Chemisorption on Rutile-TiO2(110) Surfaces
2.3 Water Dissociative Chemisorption on α-Al2O3(100) Surfaces
4 Summary
5 Acknowledgments
References
8 FIRST-PRINCIPLES STUDIES OF HYDROGEN SPILLOVER MECHANISMS ON METAL OXIDES
1 Introduction
2 General View of Spillover
2.1 Mechanism of Hydrogen Spillover on Metal Oxide
2.2 The Role of Noble Metals in the Spillover Effect
2.3 The Role of Spillover in Chemical Sensors
2.4 Experimental Confirmations of the Presence of Spillover Effect
3 Computational Approach
4 Hydrogen Spillover in MoO3
5 Hydrogen Spilloverin Al2O3
6 Hydrogen Spilloverin WO3
7 Summary
References
……
9 ADSORPTION AND DIFFUSION OF ADATOMS AND SMALL CLUSTERS ON METAL OXIDE SURFACES
10 EFFECT OF SIZE ON THE PHASE STABILITY OF NANOSTRUCTURES
11 SEGREGATION-INDUCED GRAIN-BOUNDARY ELECTRICAL POTENTIAL IN IONIC OXIDE MATERIALS: SIMULATION APPROACHES AND PENDING CHALLENGES
INDEX
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