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230318s2023 si o 000 0 eng d |
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|a EBLCP
|b eng
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|d UKAHL
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|a 1373232425
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|a 9789811969218
|q electronic book
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|z 9789811969201
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|a 10.1007/978-981-19-6921-8
|2 doi
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|a (OCoLC)1373348142
|z (OCoLC)1373232425
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|a QC173.458.S87
|b C36 2023
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|a PHFC
|2 bicssc
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|a SCI077000
|2 bisacsh
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|2 thema
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|a HCDD
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|a Cao, Duanyun,
|e author.
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|a Structures and dynamics of interfacial water /
|c Duanyun Cao.
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|a Singapore :
|b Springer,
|c 2023.
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| 300 |
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|a 1 online resource (149 p.).
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| 336 |
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|a text
|b txt
|2 rdacontent
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|a computer
|b c
|2 rdamedia
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|a online resource
|b cr
|2 rdacarrier
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|a Springer Theses
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|a "Doctoral thesis accepted by Peking University, Beijing, China."
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|a 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
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|a 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
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|a 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
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|a 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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|a 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 experimental results of AFM, the book systematically studies interfacial water at the atomic scale, especially the structure and growth mechanism of two-dimensional ice on hydrophobic Au (111) surface, the structure and the interconversion of the Eigen/Zundel hydrated proton on the Au(111) and Pt(111) surfaces, the microstructure and the hydration effect of the diffusion of ion hydrates on NaCl surface. This book displays the atomic scale information about the interaction between water and surface, and achieves many innovative results. Furthermore, the research methods included in this book can be further extended to study the more complex interfacial systems.
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|a Online resource; title from PDF title page (SpringerLink, viewed March 22, 2023).
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|a Condensed matter.
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|a Water
|x Analysis.
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| 650 |
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|a Molecular structure.
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| 650 |
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|a Biological interfaces.
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| 650 |
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|a Water chemistry.
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| 650 |
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|a molecular structure.
|2 aat
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|a Biological interfaces
|2 fast
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|a Condensed matter
|2 fast
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| 650 |
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|a Molecular structure
|2 fast
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| 650 |
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|a Water
|x Analysis
|2 fast
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| 650 |
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|a Water chemistry
|2 fast
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| 776 |
0 |
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|i Print version:
|a Cao, Duanyun
|t Structures and Dynamics of Interfacial Water
|d Singapore : Springer,c2023
|z 9789811969201
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| 830 |
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0 |
|a Springer theses.
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| 856 |
4 |
0 |
|u https://holycross.idm.oclc.org/login?auth=cas&url=https://link.springer.com/10.1007/978-981-19-6921-8
|y Click for online access
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| 903 |
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|a SPRING-ALL2023
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| 994 |
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|a 92
|b HCD
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