Structures and dynamics of interfacial water : input from theoretical vibrational sum-frequency spectroscopy / Fujie Tang.
Tang, Fujie, author.
2019
QD169.W3
Available Online

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Title Structures and dynamics of interfacial water : input from theoretical vibrational sum-frequency spectroscopy / Fujie Tang.
Author Tang, Fujie, author.
ISBN 9789811389658 (electronic book)
9811389659 (electronic book)
9789811389641
Published Singapore : Springer, [2019]
Language English
Description 1 online resource.
Call Number QD169.W3
Dewey Decimal Classification 546/.225
Summary 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.
Bibliography, etc. Note Includes bibliographical references.
Access Note Access limited to authorized users.
Source of Description Online resource; title from PDF title page (viewed June 26, 2019).
Series Springer theses.
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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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