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" Structures and dynamics of interfacial water : "
Fujie Tang.
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BL
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| Record Number
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890463
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| Main Entry
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Tang, Fujie
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| Title & Author
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Structures and dynamics of interfacial water : : input from theoretical vibrational sum-frequency spectroscopy /\ Fujie Tang.
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| Publication Statement
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Singapore :: Springer,, [2019]
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| Series Statement
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Springer theses,
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| Page. NO
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1 online resource
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| ISBN
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9789811389641
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: 9789811389658
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: 9789811389665
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: 9789811389672
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: 9811389640
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: 9811389659
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: 9811389667
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: 9811389675
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9789811389641
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| Bibliographies/Indexes
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Includes bibliographical references.
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| Contents
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Introduction -- Theoretical Methods in this Thesis -- Definition of Free O-H Group at the Air-Water Interface -- Structure and Dynamics of the Ice-Air Interface -- Structure and Dynamics of Water-TiO2 Interface -- Conclusion and Perspectives.
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| Abstract
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This book focuses on the study of the interfacial water using molecular dynamics simulation and experimental sum frequency generation spectroscopy. It proposes a new definition of the free O-H groups at water-air interface and presents research on the structure and dynamics of these groups. Furthermore, it discusses the exponential decay nature of the orientation distribution of the free O-H groups of interfacial water and ascribes the origin of the down pointing free O-H groups to the presence of capillary waves on the surface. It also describes how, based on this new definition, a maximum surface H-bond density of around 200 K at ice surface was found, as the maximum results from two competing effects. Lastly, the book discusses the absorption of water molecules at the water-TiO2 interface. Providing insights into the combination of molecular dynamics simulation and experimental sum frequency generation spectroscopy, it is a valuable resource for researchers in the field.
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Biological interfaces.
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Molecular structure.
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Water chemistry.
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Water-- Analysis.
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Biological interfaces.
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Molecular structure.
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SCIENCE-- Chemistry-- Inorganic.
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Water chemistry.
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Water-- Analysis.
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| Dewey Classification
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546/.225
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| LC Classification
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QD169.W3
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