Cover -- Title Page -- Copyright -- Contents -- List of Contributors -- Preface -- Chapter 1 Calculation of Surface-Enhanced Raman Spectra Including Orientational and Stokes Effects Using TDDFT/Mie Theory QM/ED Method -- 1.1 Introduction: Combined Quantum Mechanics/ Electrodynamics Methods -- 1.2 Computational Details -- 1.3 Summary of Model Systems -- 1.4 Azimuthal Averaging -- 1.5 SERS of Pyridine: Models G, A, B, S, and V -- 1.6 Orientation Effects in SERS of Phthalocyanines -- 1.7 Two Particle QM/ED Calculations -- 1.8 Summary -- Acknowledgment -- References -- Chapter 2 Non-resonant SERS Using the Hottest Hot Spots of Plasmonic Nanoaggregates -- 2.1 Introduction -- 2.2 Aggregates of Silver and Gold Nanoparticles and Their Hot Spots -- 2.2.1 Evaluation of Plasmonic Nanoaggregates by Vibrational Pumping due to a Non-resonant SERS Process -- 2.2.2 Probing Plasmonic Nanoaggregates by Electron Energy Loss Spectroscopy -- 2.2.3 Probing Local Fields in Hot Spots by SERS and SEHRS -- 2.3 SERS Using Hot Silver Nanoaggregates and Non-resonant NIR Excitation -- 2.3.1 SERS Signal vs. Concentration of the Target Molecule -- 2.3.2 Spectroscopic Potential of Non-resonant SERS Using the Hottest Hot Spots -- 2.4 Summary and Conclusions -- References -- Chapter 3 Effect of Nanoparticle Symmetry on Plasmonic Fields: Implications for Single-Molecule Raman Scattering -- 3.1 Introduction -- 3.2 Methodology -- 3.3 Plasmon Mode Structure of Nanoparticle Clusters -- 3.3.1 Dimers -- 3.3.2 Trimers -- 3.4 Effect of Plasmon Modes on SMSERS -- 3.4.1 Effect of the Spectral Lineshape -- 3.4.2 Effect of Multiple Normal Modes -- 3.5 Conclusions -- Acknowledgment -- References -- Chapter 4 Experimental Demonstration of Electromagnetic Mechanism of SERS and Quantitative Analysis of SERS Fluctuation Based on the Mechanism.

4.1 Experimental Demonstration of the EM Mechanism of SERS -- 4.1.1 Introduction -- 4.1.2 Observations of the EM Mechanism in SERS Spectral Variations -- 4.1.3 Observations of the EM Mechanism in the Refractive Index Dependence of SERS Spectra -- 4.1.4 Quantitative Evaluation of the EM Mechanism of SERS -- 4.1.5 Summary -- 4.2 Quantitative Analysis of SERS Fluctuation Based on the EM Mechanism -- 4.2.1 Introduction -- 4.2.2 Intensity and Spectral Fluctuation in SERS and SEF -- 4.2.3 Framework for Analysis of Fluctuation in SERS and SEF -- 4.2.4 Analysis of Intensity Fluctuation in SERS and SEF -- 4.2.5 Analysis of Spectral Fluctuation in SERS and SEF -- 4.2.6 Summary -- 4.3 Conclusion -- Acknowledgments -- References -- Chapter 5 Single-Molecule Surface-Enhanced Raman Scattering as a Probe for Adsorption Dynamics on Metal Surfaces -- 5.1 Introduction -- 5.2 Simultaneous Measurements of Conductance and SERS of a Single-Molecule Junction -- 5.3 SERS Observation Using Heterometallic Nanodimers at the Single-Molecule Level -- 5.4 Conclusion -- Acknowledgments -- References -- Chapter 6 Analysis of Blinking SERS by a Power Law with an Exponential Function -- 6.1 Introduction -- 6.2 Materials and Methods -- 6.3 Power Law Analysis -- 6.4 Plasmon Resonance Wavelength Dependence -- 6.4.1 Power Law Exponents for the Bright and Dark Events -- 6.4.2 Truncation Time for the Dark Events -- 6.5 Energy Density Dependence -- 6.5.1 Power Law Exponents for the Bright and Dark Events -- 6.5.2 Truncation Time for the Dark Events -- 6.5.3 Comparison with Other Analysis -- 6.6 Temperature Dependence -- 6.6.1 Power Law Exponents for the Bright and Dark Events -- 6.6.2 Truncation Time for the Dark Events -- 6.6.3 Comparison with Other Analysis -- 6.7 Summary -- Acknowledgments -- References.

Chapter 7 Tip-Enhanced Raman Spectroscopy (TERS) for Nanoscale Imaging and Analysis -- 7.1 Crucial Difference between TERS and SERS -- 7.2 TERS-Specific Spectral Change as a Function of Tip-Sample Distance -- 7.3 Mechanical Effect in TERS -- 7.4 Application to Analytical Nano-Imaging -- 7.5 Metallic Probe Tip: Design and Fabrication -- 7.6 Spatial Resolution -- 7.7 Real-Time and 3D Imaging: Perspectives -- References -- Chapter 8 Shell-Isolated Nanoparticle-Enhanced Raman Spectroscopy (SHINERS) -- 8.1 Introduction -- 8.2 Synthesis of Various Shell-Isolated Nanoparticles (SHINs) -- 8.3 Characterizations of SHINs -- 8.3.1 Correlation of the SHINERS Intensity and Shell Thickness -- 8.3.2 Characterization of the Ultra-Thin Uniform Silica Shell -- 8.3.3 Influence of the SHINs on the Surface -- 8.4 Applications of SHINERS -- 8.4.1 Single-Crystal Electrode Surface -- 8.4.2 Non-Metallic Material Surfaces -- 8.4.3 Single Particle SHINERS -- 8.5 Different Strategies of SHINERS Compared to Previous SERS Works Using Core-Shell or Overlayer Structures -- 8.6 Advantages of Isolated Mode over Contact Mode -- 8.7 Concluding Discussion -- 8.8 Outlook -- Acknowledgments -- References -- Chapter 9 Applying Super-Resolution Imaging Techniques to Problems in Single-Molecule SERS -- 9.1 Introduction -- 9.1.1 Single-Molecule Surface-Enhanced Raman Scattering (SM-SERS) -- 9.1.2 Super-Resolution Imaging -- 9.2 Experimental Considerations for Super-Resolution SM-SERS -- 9.2.1 Sample Preparation -- 9.2.2 Instrument Set-up -- 9.2.3 Camera Pixels and Theoretical Uncertainties -- 9.2.4 Correlated Imaging and Spectroscopy in Super-Resolution SM-SERS -- 9.2.5 Correlated Optical and Structural Data -- 9.3 Super-Resolution SM-SERS Analysis -- 9.3.1 Mechanical Drift Correction.

9.3.2 Analysis of Background Nanoparticle Luminescence -- 9.3.3 Calculating the SM-SERS Centroid Position -- 9.4 Super-Resolution SM-SERS Examples -- 9.4.1 Mapping SM-SERS Hot Spots -- 9.4.2 The Role of Plasmon-Enhanced Electromagnetic Fields: Structure Correlation Studies -- 9.4.3 The Role of the Molecule: Isotope-Edited Studies -- 9.5 Conclusions -- References -- Chapter 10 Lithographically-Fabricated SERS Substrates: Double Resonances, Nanogaps, and Beamed Emission -- 10.1 Introduction -- 10.2 Double Resonance SERS Substrates -- 10.3 Lithographically-Fabricated Nanogap Dimers -- 10.4 Beamed Raman Scattering -- 10.5 Conclusions -- References -- Chapter 11 Plasmon-Enhanced Scattering and Fluorescence Used for Ultrasensitive Detection in Langmuir-Blodgett Monolayers -- 11.1 Introduction -- 11.2 Surface-Enhanced Resonance Raman Scattering of Tagged Phospholipids -- 11.2.1 Experimental Details -- 11.2.2 Langmuir and LB films -- 11.2.3 Electronic Absorption -- 11.2.4 Characteristic Vibrational Modes of the Tagged Phospholipid -- 11.2.5 Single Molecule Detection -- 11.3 Shell-Isolated Nanoparticle Enhanced Fluorescence (SHINEF) -- 11.3.1 Tuning the Enhancement Factor in SHINEF -- 11.3.2 SHINEF of Fluorescein-DHPE -- 11.4 Conclusions -- Acknowledgments -- References -- Chapter 12 SERS Analysis of Bacteria, Human Blood, and Cancer Cells: a Metabolomic and Diagnostic Tool -- 12.1 Introduction -- 12.2 SERS of Bacterial Cells: Methodology and Diagnostics -- 12.3 Characteristics of SERS Spectra of Bacteria -- 12.4 PCA Barcode Analysis -- 12.5 Biological Origins of Bacterial SERS Signatures -- 12.6 SERS Bacterial Identification in Human Body Fluids: Bacteremia and UTI Diagnostics -- 12.7 Red Blood Cells and Hemoglobin: Blood Aging and Disease Detection -- 12.8 SERS of Whole Blood -- 12.9 SERS of RBCs -- 12.10 Malaria Detection.

12.11 Cancer Cell Detection: Metabolic Profiling by SERS -- 12.12 Conclusions -- Acknowledgment -- References -- Chapter 13 SERS in Cells: from Concepts to Practical Applications -- 13.1 Introduction -- 13.2 SERS Labels and SERS Nanoprobes: Different Approaches to Obtain Different Information -- 13.2.1 Highlighting Cellular Substructures with SERS Labels -- 13.2.2 Probing Intrinsic Cellular Biochemistry with SERS Nanoprobes -- 13.3 Consequences of Endocytotic Uptake and Processing for Intrinsic SERS Probing in Cells -- 13.4 Quantification of Metal Nanoparticles in Cells -- 13.5 Toxicity Considerations -- 13.6 Applications -- 13.6.1 pH Nanosensors for Studies in Live Cells -- 13.6.2 Following Cell Division with SERS -- Acknowledgment -- References -- Index -- Supplemental Images.