1 ATOMISTIC SIMULATION OF HIERARCHICAL NANOSTRUCTURED MATERIALS FOR OPTICAL CHEMICAL SENSING

A．Bagaturgants

M．Alfimov

1 Introduction

2 Hierarchical Nanomaterials:Construction and Organization Principles;Materials Construction by the Bottom-Up Principle

2.1 Hierarchical Nanomaterials for Nanophotonics and Their Sensing Potentialities

2.2 Space-Time Scale Hierarchy and the Structure of Nanomaterials for Nanophotonics

2.3 Structure of Nanomaterials for Optical Chemical Sensors:From a Molecule to a Supramolecular Center,Nanoparticle,and Nanomaterial

3 Hierarchy of Atomistic Simulation Methods Corresponding to Scale Hierarchy

4 Atomistic Multiscale Simulation of Hierarchical Nanomaterials for Optical Chemical Sensors:Step by Step

4.1 Supramolecular Level:Calculations of Molecular Interactions between Gas-Phase Analyte Molecules and Simple Substrate Models

4.2 Supramolecular Level:DFT Calculations of the 9-Diphenylaminoacridine(9-DPAA)Fluorescent Indicator and Its Interactions with Analyte Molecules

4.3 Multiscale Level:MD/DFT Slab Modeling of the Adsorption of Simple Organic and Inorganic Molecules on an Amorphous Silica Surface

4.4 Multiscale Level:MD/DFT Cluster Modeling of a 9-DPAA/Silica RC and Its Interaction with Small Analyte Molecules

4.5 Multiscale Level:MD/DFT Cluster Modeling of the Effect of Analyte Molecules on the Absorption and Fluorescence Spectra of a 9-DPAA/Silica RC

4.6 Multiscale Level:Modeling the Structure and Spectra of an RC Based on the Nile Red Dye Adsorbed on the Surface of Polystyrene

5 Prospects and Outlook

Acknowledgments

References

2 SELF-ASSEMBLING AND MODELING OF SENSING LAYERS:PHOTONIC CRYSTALS

S．Belousov

I．Polishchuk

B．Potapkin

1 Introduction

2 Photonic Crystals

3 Methods of Modeling Spontaneous Emission Modification

3.1 Correspondence Principle

3.2 Dipole Near a Surface

3.3 Modeling the Modification of Spontaneous Emission Based on the Finite-Difference Time-Domain Method

4 Conclusion

References

3 OPTICAL SENSING BY METAL OXIDE NANOSTRUCTURES:PHENOMENOLOGY AND BASIC PROPERTIES

S．Lettieri

1 Introduction

2 Optochemical Sensing by Oxide Materials:Methods Not Based on Photoluminescence

2.1 Approaches to Optical Sensing

2.2 Oxide-Based Optochemical Sensing Using Absorbance Responses

2.3 Oxide-Based Optochemical Sensing Using Refractive Responses

3 Photoluminescence-Based Optochemical Sensing by Semiconducting Materials:Models

3.1 Basic Principles of Photoluminescence

3.2 Main Processes Contributing to Photoluminescence

3.3 Models for Gas-Induced Photoluminescence Quenching

3.4 Practical Issues in Analysis and Interpretation of PL Quenching Data

4 Photoluminescence-Based Optochemical Sensing by Oxide Nanocrystals and Nanostructures:Results and Interpretations

4.1 Why Nanostructures?The Roles of Crystal Order and Size

4.2 Zinc Oxide Nanostructures

4.3 Silica Nanostructures

4.4 Tin Dioxide Nanostructures

5 Conclusions

Acknowledgments

References

4 SIMULATION AND MODELING OF HYDROGEN LEAK SENSORS BASED ON OPTICAL FIBER GRATINGS

C．Caucheteur

M．Debliquy

G．Ravet

D．Lahem

P．Megret

1 Introduction

2 Fundamentals of Fiber Gratings

3 Hydrogen Leak Sensor in Nitrogen Environment Using FBG Covered by Palladium

3.1 Axial Strain Effect

3.2 Temperature Effect

4 Hydrogen Leak Sensor in Air Environment Using FBG Covered by Tungsten Oxide Doped with Platinum

4.1 Reaction on the Fiber

4.2 Convection Losses

4.3 Radiation Losses

4.4 Conduction Losses Along the Axis of the Fiber

4.5 Sum of the Various Contributions

4.6 Simulation Results

5 Conclusions

References

5 SIMULATION AND MODELING OF SURFACE PLASMON RESONANCE-BASED FIBER OPTICAL SENSORS

Banshi D.Gupta

Rajan Jha

l Introduction and Historical Background of Surface Plasmons

2 Excitation of Surface Plasmons and Coupling Techniques

2.1 Prism Coupling

2.2 Waveguide Coupling

2.3 Grating Coupling

3 N-Layer Model for Different Configurations

3.1 Prism-Based Angular Interrogation

3.2 Fiber-Based Wavelength Interrogation

4 Sensing Principle of SPR:Performance Parameters

5 Fiber Optic SPR Sensors

5.1 Fiber Core

5.2 Metal Layer

5.3 Sensing Medium

6 Evolution of Fiber Optic SPR Sensors

7 Other Probes:Sensitivity Enhancement

7.1 Doped Optical Fiber Probe

7.2 Tapered Optical Fiber Probe

7.3 U-Shaped Optical Fiber Probe

7.4 Long-Range Surface Plasmon Resonance

8 Summary

Acknowledgment

References

6 FIBER OPTIC SENSOR OPERATING IN A MICROFLUIDIC DEVICE:A FINITE-ELEMENT ANALYSIS

G．Louarn

M．Kanso

T．Makiabadi

1 Introductjon

2 Theory—Governing Equations

2.1 General Considerations

2.2 Navier-Stokes Equations

2.3 Laminar Flow between Fixed Parallel Plates

2.4 Diffusion-Advection Equations in a Microfluidic Channel

2.5 Biochemical Reaction and Langmuir Adsorption Model

2.6 Surface Plasmon Resonance Absorption

3 Finite-Element Modeling

4 Quantification of the Reaction by SPR

5 Experimental Procedure

6 Numerical Results

7 Conclusion

References

INDEX