化学传感器 : 仿真与建模. 第2卷, 电导型传感器

PREFACE

ABOUT THE EDITOR

CONTRIBUTORS

7 EXPERIMENTAL INVESTIGATIOX AND MODELING OF GAS-SENSING EFFECT

IN MIXED METAL OXIDE NANOCOMPOSITES

1 Introduction

2 Types of Mixed Metal Oxides

3 Synthesis of Metal Oxide Nanocomposites

4 Charge Transfer Processes and Conductivity

5 Conductivity Mechanism

6 Sensor Properties

7 Mechanism of Sensor Effect

7.1 Sensors Based on Single Nanofibers

7.2 Polycrystalline Sensors

8 Modeling of the Sensory Effect for Reduced Gases

8.1 Qualitative Discussion of the Sensory Mechanism

8.2 Equilibrium Electronic Characteristics Of SnO2

8.3 Sensor Response

9 Conclusions

Acknowledgment

References

8 THE INFLUENCE OF WATER VAPOR ON THE GAS-SENSING PHENOMENON

OF TIN DIOXIDE-BASED GAS SENSORS

1 Introduction

2 Direct Water Effects on Tin Dioxide-Based Gas Sensors

2.1 Undoped SnO2

2.2 Doped SnO2

3 Indirect Water Effects on Tin Dioxide-Based Gas Sensors

3.1 Reducing Gases

3.2 Oxidizing Gases

4 Phenomenological Model

5 Conclusions

Acknowledgments

References

9 COMPUTATIONAL DESIGN OF CHEMICAL NANOSENSORS:

TRANSITION METAL-DOPED SINGLE-WALLED CARBON NANOTUBES

1 Introduction

2 TM-Doped SWNTs as Nanosensors

3 Density Functional Theory

4 Kinetic Modeling

5 Nonequilibrium Green's Function Methodology

5.1 Divacancy II

5.2 Divacancy I

5.3 Monovacancy

5.4 Target and Background Molecules

6 Sensing Property

7 Conclusions

Acknowledgments

References

10 AL-DOPED GRAPHENE FOR ULTRASENSTIVE GAS DETECTION

11 PHYSICS-BASED MODELING OF SNO2 GAS SENSORS WITH FIELD-EFFECT TRANSISTOR STRUCTURE

This series, Chemical Sensors: Simulation and Modeling, is the perfect complement to Momentum Press's six-volume reference series, Chemical Sensors: Fundamentals of Sensing Materials and Chemical Sensors: Comprehensive Sensor Technologies, which present detailed information about materials, technologies, fabrication, and applications of various devices for chemical sensing. Chenucal.sensors are integral to the automation of myriad industrial processes and every-day monitoring of such activities as public safety, engine performance, medical therapeutics, and many more.
　　Despite the large number of chemical sensors already on the market, selection and design of a suitable sensor for a new application is a difficult task for the design engineer. Careful selection of the sensing material, sensor platform, technology of synthesis or deposition of sensitive materials, appropriate coatings and membranes, and the sampling system is very important, because those decisions can determine the specificity, sensitivity, response time, and stability of the final device. Selective functionalization of the sensor is also critical to achieving the required operating parameters. Therefore, in designing a chemical sensor, developers have to answer the enormous questions related to properties of sensing materials and their functioning in various environments. This four-volume com-prehensive 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 surface diffusion, adsorption, surface reactions, sintering, conductivity, mass transport, inter phase interactions, etc. In these volumes it is shown that theoretical modeling and simulation of the processes, being a basic for chemical sensor operation, can provide considerableassistance in choosing both optimal materials and optimal configurations of sensing elements for use in chemical sensors. The theoretical simulation and modeling of sensing material behavior during interactions with gases and liquid surroundings can promote understanding of the nature of effects responsible for high effectiveness of chemical sensors operation as well. Nevertheless, we have tounder stand that only very a few aspects of chemistry can be computed exactly.