Structures and dynamics of interfacial water

Structures and dynamics of interfacial water / Duanyun Cao.

This thesis highlights the study into the structures and dynamics of interfacial water, which is a cutting edge issue in condensed matter physics. Using the first principles calculation, classical molecular dynamics simulation and the simulation of atomic force microscopy (AFM), combined with the ex...

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Salvato in:
Dettagli Bibliografici
Autore principale: Cao, Duanyun (Autore)
Natura: eBook
Lingua:English
Pubblicazione: Singapore : Springer, 2023.
Serie:Springer theses.
Soggetti:
Condensed matter.
Water > Analysis.
Molecular structure.
Biological interfaces.
Water chemistry.
molecular structure.
Biological interfaces
Condensed matter
Molecular structure
Water > Analysis
Water chemistry
Accesso online:Click for online access
Sommario:
  • Intro
  • Supervisor's Foreword
  • Abstract
  • Acknowledgements
  • Contents
  • 1 Introduction
  • 1.1 Basic Introduction to Interfacial Water
  • 1.2 Research Status of Interfacial Water
  • 1.2.1 Experimental Studies of Interfacial Water
  • 1.2.2 Application of AFM Imaging in the Study of Interfacial Water
  • 1.2.3 Theoretical Research on Interfacial Water
  • 1.3 Chapter Summary and Main Content of This Book
  • References
  • 2 Theoretical Research Methods Involved in This Book
  • 2.1 First-Principles Calculations and DFT
  • 2.2 Classical MD Simulation
  • 2.3 Simulation of FM-AFM Imaging
  • 2.3.1 Basic Principle of FM-AFM
  • 2.3.2 Probe Particle Model
  • 2.3.3 High-Resolution Imaging Mechanism of the Weakly Perturbative CO Tip
  • 2.4 Chapter Summary
  • References
  • 3 Structure and Growth Mechanism of the 2D Ice on the Hydrophobic Metal Surface
  • 3.1 Introduction
  • 3.2 Structure of the Bulk 2D Ice on Au(111)
  • 3.2.1 Periodicity and Layer Number of the 2D Ice
  • 3.2.2 Structure of the Bulk 2D Ice
  • 3.3 Structure and Stability of the Ice Edges
  • 3.4 Growth Mechanism of the Ice Edges
  • 3.5 Chapter Summary
  • References
  • 4 Interconversion of the Eigen/Zundel Cations on Metal Surfaces
  • 4.1 Introduction
  • 4.2 Structure of Hydrated Protons on Au(111)
  • 4.2.1 Eigen State
  • 4.2.2 Zundel State
  • 4.3 Comparison and Interconversion of Eigen/Zundel Cations
  • 4.3.1 Theoretical Comparison of the Interaction Strength in Different States
  • 4.3.2 Interconversion Between Eigen State and Zundel State
  • 4.3.3 Change of the Eigen/Zundel Ratio
  • 4.4 Structure of the Hydrated Protons on Pt(111)
  • 4.5 Chapter Summary
  • References
  • 5 Structure and Dynamics of Ion Hydrates on NaCl surface
  • 5.1 Introduction
  • 5.2 Structure of Na+ Hydrates on NaCl(001)
  • 5.2.1 Determination of the Electrical Property of Na in Hydrates
  • 5.2.2 Structure of Na+ Hydrates
  • 5.3 Dynamics of Na+ Hydrates on NaCl(001)
  • 5.3.1 Experimental Results of the Dynamics of Na+ Hydrates
  • 5.3.2 DFT Study of the Dynamics of Na+ Hydrates
  • 5.3.3 Classical MD Simulation of the Dynamics of Na+ Hydrates
  • 5.4 Dynamics of Other Salt Ion Hydrates
  • 5.5 Chapter Summary
  • References
  • 6 Summary and Outlook

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