Chemical sensors are integral to the automation of myriad industrial processes and everyday monitoring of such activities as public safety, engine performance, medical therapeutics, and many more. This 4 volume reference work covering simulation and modeling will serve as the perfect complement to Momentum Press's 6 volume reference works "Chemical Sensors: Fundamentals of Sensing Materials" and "Chemical Sensors: Comprehensive Sensor Technologies", which present detailed information related to materials, technologies, construction and application of various devices for chemical sensing.
This 4 volume comprehensive reference work analyzes approaches used for computer simulation and modeling in various fields of chemical sensing and discusses various phenomena important for chemical sensing such as bulk and surface diffusion, adsorption, surface reactions, sintering, conductivity, mass transport, interphase interactions, etc. In this work it will be shown that theoretical modeling and simulation of the processes, being a basic for chemical sensors operation, could provide considerable progress in choosing both optimal materials and optimal configurations of sensing elements for using in chemical sensors. Each simulation and modeling volume in the present series reviews modeling principles and approaches peculiar to specific groups of materials and devices applied for chemical sensing.
Volume 1: Microstructural Characterization and Modeling of Metal Oxides covers microstructural characterization of metal oxides using SEM, TEM, Raman spectroscopy and in-situ high temperature SEM, and multiscale atomistic simulation and modeling of metal oxides, including surface state, stability and metal oxide interactions with gas molecules, water and metals.
Preface
About the Editor
Contributors
Chapter 1 : Microstructural Characterization of Tin Dioxide Thin Films
Chapter 2 : Microstructural Evolution by in-Situ TEM Observations and Simulations
Chapter 3 : Raman Spectroscopy of Oxide
Chapter 4 : The Nanostate: Nanopowders and Nanowires
Chapter 5 : Density Functional Theory Modeling of ZnO for Gas Sensor Applications
Chapter 6 : Modeling Interactions of Metal Oxide Surfaces with Water
Chapter 7 : Density Functional Theory Study of Water Dissociative Chemisorption on Metal Oxide Surfaces
Chapter 8 : First-Principles Studies of Hydrogen Spillover Mechanisms on Metal Oxides
Chapter 9 : Adsorption and Diffusion of Adatoms and Small Clusters on Metal Oxide Surfaces
Chapter 10 : Effect of Size on the Phase Stability of Nanostructures
Chapter 11 : Segregation-Induced Grain-Boundary Electrical Potential in Ionic Oxide Materials: Simulation Approaches and Pending Challenges
Index
