Proceedings of the International Conference on Atomic, Molecular, Optical & Nano Physics with Applications: CAMNP 2019 (Springer Proceedings in Physics, 271)

This book highlights the proceedings of the International Conference on Atomic, Molecular, Optical and Nano-Physics with Applications (CAMNP 2019), organized by the Department of Applied Physics, Delhi Technological University, New Delhi, India. It presents experimental and theoretical studies of atoms, ions, molecules and nanostructures both at the fundamental level and on the application side using advanced technology. It highlights how modern tools of high-field and ultra-fast physics are no longer merely used to observe nature but can be used to reshape and redirect atoms, molecules, particles or radiation. It brings together leading researchers and professionals on the field to present and discuss the latest finding in the following areas, but not limited to: Atomic and Molecular Structure, Collision Processes, Data Production and Applications Spectroscopy of Solar and Stellar Plasma Intense Field, Short Pulse Laser and Atto-Second Physics Laser Technology, Quantum Optics and applications Bose Einstein condensation Nanomaterials and Nanoscience Nanobiotechnolgy and Nanophotonics Nano and Micro-Electronics Computational Condensed Matter Physics Organizing Committee Preface Funding Agencies Contents Contributors 1 X-ray Free Electron Lasers and Atomic Physics in Dense Plasmas 1.1 Introduction 1.2 Interaction of XFEL Radiation with Atoms in Dense Plamas 1.3 XFEL Induced Rates Versus Plasma Rates 1.3.1 XFEL Pulse Modeling 1.3.2 Photo Excitation Versus Spontaneous Radiative Decay 1.3.3 Photoionization Versus Plasma Electron Collisional Ionization 1.3.4 Photo Ionization Versus Autoionization 1.4 Hollow Crystals: Excotic States of Dense Matter Induced by Intense XFEL Irradiation of Solids 1.5 Auger Electron Heating and 3-body Recombination Heating 1.6 Seeded XFEL Pumping: Line Profiles in Dense Plasmas 1.7 Conclusion References 2 Recent Progress on Identifications of Spectral Lines from Tungsten Ions in Low and High Ionization Stages Using Laboratory Plasmas for Fusion Research and Its Application to Plasma Diagnostics 2.1 Introduction 2.2 Tungsten Pellet Injection in LHD 2.2.1 Time Sequence of Tungsten Ionization Stages After Pellet Injection 2.2.2 Visible W I and W II Spectra from Pellet Ablation Plasmas 2.3 Low-Ionized Tungsten Ions 2.3.1 Observation of VUV Spectra and Measurement of W5+ Ion Temperature 2.3.2 Observation of EUV Spectra and W6+ Ion Influx Analysis 2.4 Highly Ionized Tungsten Ions 2.4.1 Analysis of Tungsten Unresolved Transition Array 2.4.2 Density Profile Measurement of W43+ and W45+ Ions 2.5 Observation of M1 Transitions and W27+ Density Profile Analysis 2.6 Summary References 3 Radiative Collisions of Atoms and Ions from Astrophysical to Ultracold Domains 3.1 Introduction 3.1.1 Early Studies 3.1.2 Further Studies 3.1.3 Recent Studies: Ultracold Collisions 3.2 Two Case Studies 3.2.1 The Helium Ion and the Carbon Atom 3.2.2 The Helium Ion and the Argon Atom References 4 Multielectron Processes in Ions Formation by Electron Impact 4.1 Introduction 4.2 Theoretical Approach 4.3 Results 4.4 Conclusions References 5 Electron Energy Distribution Functions in Ionized Gases: An Engineering Point of View 5.1 Introduction 5.2 Theory 5.3 Application to Penning Gas Mixtures 5.4 Concluding Remarks References 6 Green Synthesis of Silver Nanoparticles Using Abutilon theophrasti Leaves and their Photocatalytic Activity for Water Treatment 6.1 Introduction 6.2 Materials and Methods 6.3 Results and Discussion 6.4 Methyl Orange Dye (MO) Photocatalytic Degradation 6.5 Conclusion References 7 Synthesis of Deformation Resistant Palladium (Pd) Nanoparticle Layer 7.1 Introduction 7.2 Experimental 7.3 Results and Discussion 7.4 Conclusions References 8 Influence of Dense Plasma Environment on the He-α and He-β Transitions of Cl15+ Ion 8.1 Introduction 8.2 Theoretical Methods 8.2.1 The UEGM and Analytical Plasma Screening (APS) Potentials 8.2.2 The UEGM and APS Potentials Incorporated in the MCDF and RCI Methods 8.3 Results and Discussion 8.4 Conclusion References 9 Fabrication of Ag Thin Film Nano Layered Structure and Its Potential Application as the Supercapacitor Electrode 9.1 Introduction 9.2 Experimental 9.2.1 Preparation of Ion Exchange Membrane 9.2.2 Ag Coating on Cu Substrate 9.2.3 Characterizations 9.2.4 Supercapacitor Fabrication 9.3 Results and Discussion 9.3.1 XRD Pattern Analysis 9.3.2 AFM 9.3.3 Electrochemical Performances 9.4 Conclusion References 10 Energy Levels, Transition Data and SXRay Spectral Lines in W LXVII 10.1 Introduction 10.2 Theoretical Method 10.3 Computational Procedure 10.4 Results and Discussion 10.4.1 Energy Levels 10.4.2 Radiative Rates 10.5 Conclusion References 11 To Study Temperature and Hydrostatic Pressure Effect on ORC for a Semi-parabolic 1-D InAs Excitonic System 11.1 Introduction 11.2 Theory 11.3 Result 11.4 Conclusion References 12 Numerical Modeling and Analysis of GAP-Se Chalcogenide Based Rib Waveguide for Nonlinear Applications 12.1 Introduction 12.2 Waveguide Design 12.3 Methodology 12.4 Results and Discussion 12.5 Conclusion References 13 Nanodiamonds—Synthesis Techniques, Properties and Applications in Photovoltaics 13.1 Introduction 13.2 Synthesis 13.2.1 Detonation Technique 13.2.2 Chemical Vapour Deposition (CVD) 13.3 Properties of Nanodiamonds 13.3.1 Electronic 13.3.2 Optical 13.4 Applications 13.4.1 Dye Sensitized Solar Cells (DSSCs) 13.4.2 Nanodiamond as Coating Material 13.4.3 Nanodiamonds in Organic Photovoltaics 13.5 Conclusion References 14 Structural Properties of TiS2/MWCNTs Hybrid Nanostructures 14.1 Introduction 14.2 Experimental Details 14.2.1 Formation of TiS2 Nanoplates 14.2.2 Synthesis of MWCNTs 14.3 Results and Discussion 14.4 Conclusion References 15 Broadband Spiral Optical Delay on a Silicon Nitride Platform at 1310 nm Wavelength 15.1 Introduction 15.2 Waveguide Design and Modelling 15.3 Spiral Optical Delay Lines 15.3.1 Design of Spiral Delay Line 15.3.2 Simulation Results 15.4 Conclusion References 16 Robust Half Metallicity in Ti Doped BaSe: A Promising Spintronic Material 16.1 Introduction 16.2 Methodology 16.3 Results and Discussion 16.4 Conclusion References 17 Determination of Atomic Properties of Pm-like Gold 17.1 Introduction 17.2 Results and Discussion 17.3 Conclusion References 18 Energy Transfer from Carbon Dots to Organic Dye 18.1 Introduction 18.2 Materials and Methods 18.2.1 Materials 18.2.2 Sample Preparation 18.2.3 Analytical Methods 18.3 Results and Discussion 18.3.1 Characterization of O-f-CDs 18.3.2 Steady-State and Excited State Measurements 18.3.3 Excited-State Energy Transfer References 19 Shape and Size Dependence of Noble Metal Nanoparticles on Decay Rates of an Emitter 19.1 Introduction 19.2 Experiment 19.3 Simulations 19.4 Results and Discussions 19.5 Conclusions References 20 Structural, Morphological and Electrochemical Studies of Complex Spinel Titanate Li2ZnTi3O8 20.1 Introduction 20.2 Experimental 20.2.1 Synthesis of Material 20.2.2 Characterization of Material 20.3 Results and Discussion 20.3.1 Structural (XRD) and Morphological (SEM and EDAX) Analysis 20.3.2 Electrochemical Analysis 20.4 Conclusion References 21 Conductivity and Structure Correlation in Gd2Zr2O7 Pyrochlore for Oxide Fuel Cell Technology 21.1 Introduction 21.2 Experimental Details 21.3 Results and Discussion 21.3.1 Structural and Micro-Structural Studies 21.3.2 AC Conductivity Analysis 21.4 Conclusion References 22 Identification of Different Phases and Thermal Analysis of Mn Doped Cadmium Oxide Nano-rods 22.1 Introduction 22.2 Experimental Details 22.2.1 Sample Preparation 22.2.2 Characterization Tools 22.3 Results and Discussion 22.3.1 TG–DTA (Thermal) Analysis 22.3.2 Phase Identification by XRD 22.3.3 Fourier Transform Infrared Spectroscopy: (FTIR) 22.3.4 Uv–Vis Absorption and Band Gap Energy (Eg) 22.3.5 Band Gap Energy (Eg) 22.3.6 TEM Analysis 22.4 Conclusions References 23 Slow Optical Soliton in a Three-Level Multiple Quantum Well Under Electromagnetically Induced Transparency 23.1 Introduction 23.2 Mathematical Model and Governing Equations 23.3 Results and Discussions 23.4 Conclusion References 24 Structural, Magnetic and Optical Study of Transition Element Doped Bismuth Ferrite 24.1 Introduction 24.2 Experimental Method 24.3 Results and Discussion 24.3.1 Structural Properties 24.3.2 Ferroelectric Studies 24.3.3 Dielectric Properties 24.3.4 Magnetic Properties 24.3.5 FTIR 24.3.6 Photovoltaic Properties 24.4 Conclusion References 25 Investigation of Magneto-conductance Transition Effect in Copper Phthalocyanine Thin Films: Electrical Impedance Study 25.1 Introduction 25.2 Experimental Details 25.3 Results and Discussions 25.4 Conclusion References 26 Structural Investigations of Dy3+ Doped Cubic Gd2O3 Nanopowder via Rietveld Refinement 26.1 Introduction 26.2 Experimental 26.2.1 Synthesis 26.2.2 Characterizations 26.3 Results and Discussion 26.3.1 XRD Analysis 26.3.2 FTIR Analysis 26.3.3 HRTEM 26.4 Conclusion References 27 Simple and Efficient Approach to Fabricate Fe3O4/CNT Based Electrode for Supercapacitor Application 27.1 Introduction 27.2 Materials and Method 27.2.1 Materials 27.2.2 Methods 27.2.3 Electrochemical Measurements 27.3 Results and Discussion 27.4 Conclusion References 28 Effect of Gd3+ Substitution on Luminescence Characteristics of GdVO4 28.1 Introduction 28.2 Experimental 28.3 Result and Discussions 28.4 Conclusion References 29 Effect of Doping on Structural and Luminescence Behavior of Calcium Aluminates 29.1 Introduction 29.2 Experimental 29.2.1 Synthesis Route: Citrate Sol–Gel 29.2.2 Measuring Tools 29.3 Results and Discussions 29.3.1 Phase Analysis Using XRD 29.3.2 Vibrational Analysis by FTIR 29.3.3 Surface Analysis by Scanning Electron Microscope (SEM) 29.3.4 Optical Analysis by Uv–Vis Spectroscopy (UV–Vis.) 29.3.5 Emission Spectra Analysis by Fluorescence Spectroscopy (FL): 29.4 Conclusions References 30 Novelty of Light Scattering Technique over Other Conventional Techniques for Characterization of Bio-Particles 30.1 Introduction: Light Scattering Theory 30.1.1 Importance of Light Scattering in Biological Sciences 30.2 Experimental Methods and Analyses for Light Scattering Interpretation 30.2.1 Materials and Methods of Culture of E. coli and Analysis 30.3 Investigation and Analysis of E. coli 30.3.1 Escherichia Coli Sample 1 30.3.2 Escherichia Coli Sample 2 30.3.3 Escherichia Coli Sample 3 30.4 Results and Discussions 30.5 Conclusions References 31 Reduced Graphene Oxide-Copper Nanocomposites Synthesis via Green Chemistry 31.1 Introduction 31.2 Characterization Techniques 31.3 Materials and Method 31.3.1 Preparation of Neem Leaves Extract 31.3.2 Synthesis of GO and rGO 31.3.3 Synthesis of Copper Nanoparticles 31.3.4 Synthesis of RGO-CuNPs Nanocomposite 31.4 Results and Discussion 31.4.1 Optical Properties 31.4.2 Structural Properties 31.4.3 Current-Voltage (I/V) Characteristics 31.5 Conclusion References 32 Stand-Off Detection of DNT Isomers by Raman Spectroscopy with Nanosecond Time-Gating 32.1 Introduction 32.2 Instrumentation and Experimental Procedure 32.3 Results and Discussion References 33 Study of Sodium Storage and Diffusion Over Phosphorene Using Density Functional Theory 33.1 Introduction 33.2 Computational Details 33.3 Results and Calculations 33.3.1 Structural Properties 33.3.2 Na Adsorption 33.3.3 Electronic and Storage Properties 33.3.4 Diffusion Properties 33.4 Conclusion References 34 Plasmonic Probing of Refractive Index Variations Using MWCNT@Ta2O5 Core–shell Nanoparticles 34.1 Introduction 34.2 Experimental Details 34.3 Results and Discussion 34.4 Conclusion References 35 Towards Detection of Flavonoid Quercetin Using Ta2O5 Nanoparticles Embedded rGO and Chitosan Matrix 35.1 Introduction 35.2 Experimental 35.3 Results and Discussion 35.4 Conclusion References 36 Optimization Study of Nozzle End Grid Size Impact on the Pressure Drop and Maximum Velocity of a Rocket Motor 36.1 Introduction 36.2 CFD Methodology and Implementation 36.2.1 Geometric Modelling 36.2.2 Simplification of Grid Geometry 36.2.3 Calculations for Effective Percentage Opening and Dimensions of Grid 36.2.4 Boundary Conditions 36.2.5 Regressive Boundary Model 36.2.6 Solution 36.2.7 Analysis Procedure 36.3 Result and Discussion 36.4 Conclusion References 37 Thermo-Physical Properties and Combustion Wave of Nitramine Based Composite Propellant Compositions 37.1 Introduction 37.2 Experimental 37.2.1 Composition Ingredients and Sample Preparation 37.2.2 Experimental Determination of Thermo-Physical Properties 37.2.3 Determination of Combustion Wave and Flame Structure 37.3 Results and Discussion 37.3.1 Analysis of Thermo-Physical Properties 37.3.2 Combustion Wave at Ambient Conditions 37.3.3 Flame Spreading Analysis at Ambient Conditions 37.4 Conclusions References 38 Investigation of Modulation Instability in a Multiple Quantum Well Nanostructure Under EIT Window 38.1 Introduction 38.2 Theoretical Model and Governing Equations 38.3 Linear and Kerr-Susceptibilities 38.4 Dispersion and Nonlinear Schrödinger Equation 38.5 Dynamics of Modulation Instability 38.6 Conclusion References 39 Fabrication of Polyaniline Nanospheres as a Good Electrode Material in Supercapacitors 39.1 Introduction 39.2 Experimental 39.2.1 Materials 39.2.2 Synthesis of Polyaniline Nanospheres (PANINS) 39.2.3 Characterization Analysis 39.3 Results and Discussions 39.3.1 FESEM Analysis 39.3.2 FTIR Analysis 39.3.3 XRD Analysis 39.3.4 Electrochemical Measurements of PANINS as an Electrode Material for Supercapacitor 39.4 Conclusion References 40 Safe, Efficient and Portable Power Generation in Oxide Based Hydroelectric Cells by Water Splitting 40.1 Introduction 40.2 Experimental Method 40.3 Results 40.3.1 XRD Analysis 40.3.2 Scanning Electron Microscopy 40.3.3 Hydroelectric Properties 40.4 Conclusion References 41 Theoretical Investigation of Various Inelastic Cross Sections for e−—CO Scattering 41.1 Introduction 41.2 Theoretical Methodology 41.2.1 Target Properties 41.2.2 R-matrix: Low Energy Formalism (Below Threshold) 41.2.3 High Energy Formalism (Ionization Thresold to 5 keV) 41.2.4 Binary-Encounter-Bethe Model (for Total ICS) 41.3 Results and Discussion 41.3.1 Vertical Electronic Excitation Energies for Carbon Monoxide Molecule 41.3.2 Eigenphase Diagram 41.3.3 Electronic Excitation Cross Sections 41.3.4 Total Ionization Cross Section (ICS) 41.3.5 Scattering Rate Coefficients 41.4 Conclusion References 42 Modelling Novel Organic Molecule 2-(4-Ethylbenzylidene) Malononitrile (EBM) for Nonlinear Optical (NLO) Applications 42.1 Introduction 42.2 Theory 42.2.1 Molecular Structure Using Density Functional Theory 42.2.2 Optical Properties 42.2.3 Population Analysis 42.2.4 Molecular Vibrations 42.3 Computational Details 42.4 Results and Discussion 42.4.1 Molecular Structure 42.4.2 Optical Properties 42.4.3 Population Analysis 42.4.4 Molecular Vibrations 42.5 Conclusion References 43 Vibrational (FT-IR and FT-Raman) Spectroscopic Investigations, NLO, NBO and MEP Analysis of 1,4-Dibromo-2,5-Dimethoxybenzene by DFT 43.1 Introduction 43.2 Experimental Details 43.3 Computational Details 43.4 Results and Discussion 43.4.1 Molecular Geometry and Structural Parameters 43.4.2 Normal Coordinate Analysis for 1,4-Dibromo-2,5-Dimethoxybenzene 43.4.3 Vibrational Analysis 43.4.4 Natural Bond Orbital (NBO) 43.4.5 Thermodynamic Properties 43.4.6 Non-linear Optical Properties 43.4.7 Mulliken Charge Distribution 43.4.8 Molecular Electrostatic Potential and Surface Contour Map Analysis 43.4.9 Reduced Density Gradient (RDG) Analysis 43.5 Conclusion References 44 Vibrational Spectral Studies, Thermodynamic Investigations and DFT (NLO, NBO, MEP) Computation of Benzene Derivative 44.1 Introduction 44.2 Experimental Details 44.3 Computational Details 44.4 Result and Discussion 44.4.1 Molecular Geometry 44.4.2 Normal Coordinate Analysis 44.4.3 Vibrational Interpretation 44.4.4 Thermodynamic Parameters 44.4.5 Natural Bond Orbital Analysis 44.4.6 Molecular Polarizability Calculation 44.4.7 Reduced Density Gradient (RDG) 44.4.8 Molecular Electrostatic Potential (MEP) Analysis 44.4.9 Surface Contour Map Analysis 44.5 Conclusion References 45 First Principles Study of the Electronic Structure, Charge Density Contours and Fermi Surfaces of Zirconium-Based Weyl Semi-Metals ZrX (X = S, Se, and Te) 45.1 Introduction 45.2 Computational Method 45.3 Results and Discussion 45.3.1 Structural Properties 45.3.2 Electronic Band Structure and Density of States 45.3.3 Fermi Surfaces 45.3.4 Charge Density Contours 45.4 Conclusion References 46 Energy Levels and Oscillator Strengths of Sulphur Like Cr Useful in Astrophysical Plasma 46.1 Introduction 46.2 Method 46.3 Results 46.4 Conclusion References 47 Evolution of Plasma Wave Oscillations in Terahertz Frequency Regime in the Wake of Ultra-Short Laser Irradiation on Air Plasma 47.1 Introduction 47.2 Plasma Wave Oscillations on Laser Irradiation 47.3 Excitation of Electromagnetic Fields in the Plasma 47.4 Discussion 47.5 Conclusions References 48 Efficient Supercontinuum Generation in Lead Silicate PCF Employing Tan-Hyperbolic Gaussian Pulses 48.1 Introduction 48.2 PCF Properties 48.3 Analysis of the Tanh-Gaussian Pulse 48.4 Numerical Modeling for Spectral Broadening in PCF 48.5 Supercontinuum Generation 48.6 Conclusion References 49 Calculations of Total Ionization Cross-Sections for Electron Impact on H2SO4 49.1 Introduction 49.2 Theoretical Methodology 49.3 Results and Discussion 49.4 Conclusion References 50 Excitation-Emission Matrix Based Characterization and Detection of Fluorescent Compounds 50.1 Introduction 50.2 Experimental 50.3 Results and Discussion 50.4 Data Analysis and Classification 50.5 Results 50.6 Conclusion References 51 Theoretical Electron Scattering Studies with Plasma Important Atoms: Tantalum and Molybdenum 51.1 Introduction 51.2 Theoretical Methodology 51.3 Results and Discussion 51.3.1 Molybdenum 51.3.2 Tantalum 51.4 Conclusions References 52 Lattice Dynamic and Thermoelectric Properties of ScPtBi in Topological Phase: A DFT Approach 52.1 Introduction 52.2 Computational Detail 52.3 Result and Discussion 52.3.1 Structural Properties 52.3.2 Lattice Dynamical Properties 52.3.3 Thermoelectric Properties 52.4 Conclusion References 53 Simple Wet-Chemical Synthesis of Ce3+ Doped γ-BaAlF5 53.1 Introduction 53.2 Experimental 53.3 Results and Discussion 53.3.1 XRD Analysis 53.3.2 Crystal Structure 53.3.3 Photoluminescence of Ce3+ in BaAlF5 53.4 Conclusion References 54 Electronic Solvation (UV-Vis) and NLO Properties of 2-Chloroanthraquinone: An Experimental and Computational Modeling Approach 54.1 Introduction 54.2 Experimental Methodology 54.3 Computational Methodology 54.4 Results and Discussions 54.4.1 Optimized Molecular Geometry 54.4.2 UV-Visible Spectral Study: An Experimental and Theoretical Comparison 54.4.3 Frontier Molecular Orbital Exploration 54.4.4 Non-linear Optical Properties 54.4.5 Mulliken Charges 54.5 Conclusions References 55 A Simple Model for Electron Impact Elastic Cross-section of Complex Bio-molecules for Energies from 20–2000 eV 55.1 Introduction 55.2 Methodology 55.3 Results 55.4 Conclusions References 56 Detection of Water Quality for Purity Assurance Using Optical Means 56.1 Introduction 56.2 Experimental 56.3 Results and Analysis 56.4 Conclusion References 57 CDBA-Based Inverse Filter Configuration 57.1 Introduction 57.2 Proposed Inverse Filter Configuration 57.3 Sensitivity Analysis 57.4 Simulation Results 57.5 Concluding Remarks References 58 Comparative Study of Polypyrrole/Zinc Oxide Nanocomposites Synthesized by Different Methods 58.1 Introduction 58.2 Experimental Details 58.2.1 Materials 58.2.2 Modified Chemical Oxidation Method 58.2.3 Electrochemical Method 58.3 Results and Discussion 58.4 Conclusion References 59 Investigation of AZO as an Alternative to ITO for Cathode Material in Organic Solar Cells 59.1 Introduction 59.2 Experimental Details 59.2.1 Materials 59.2.2 Investigation of Thermal Stability of PET Substrates 59.2.3 Deposition of AZO Films on PET and Glass Substrates 59.2.4 Synthesis of Polyaniline (PANI) and Thin Film Deposition 59.3 Conclusions References 60 Jacobi Elliptic Functions and their Application in Ultra-cold Atomic Gases 60.1 Introduction 60.2 Jacobi Elliptic Equation 60.3 Cnoidal Solutions for Quantum Liquid 60.3.1 Recent Developments 60.3.2 ``cn'' Solution 60.3.3 ``sn'' Solution 60.3.4 ``dn'' Solution 60.4 Localized Modes 60.5 Conclusion References 61 Analysis of Multimode Interference Based More Sensitive Fiber Optic Methane Gas Sensor Using Bessel Beam with Wave Theory 61.1 Introduction 61.2 Proposed Scheme 61.3 Result and Discussion 61.4 Conclusion References 62 Calculation of Thermodynamic Relations with a Modified and Magnetized Mass in PNJL Model of Cosmology 62.1 Introduction 62.2 Gibbs Free Energy of PNJL Model 62.3 Thermodynamic Parameters of Model 62.4 Results 62.5 Conclusion References 63 Negative Ion Formation in Electron Collisions with Fullerenes: Fullerene Anionic Catalysis 63.1 Introduction 63.2 Method of Calculation 63.3 Results 63.3.1 Negative Ion Formation in Low-Energy Electron Collisions with Fullerenes 63.3.2 Fullerene Negative Ion Catalysis 63.4 Concluding Remarks References Author Index