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Structures and Dynamics of Interfacial Water = Input from Theoretical Vibrational Sum-frequency Spectroscopy /

Record Type:	Language materials, printed : Monograph/item
Title/Author:	Structures and Dynamics of Interfacial Water/ by Fujie Tang.
Reminder of title:	Input from Theoretical Vibrational Sum-frequency Spectroscopy /
Author:	Tang, Fujie.
Description:	XVII, 93 p.online resource. :
Contained By:	Springer Nature eBook
Subject:	Atomic structure . -
Online resource:	https://doi.org/10.1007/978-981-13-8965-8
ISBN:	9789811389658

Structures and Dynamics of Interfacial Water = Input from Theoretical Vibrational Sum-frequency Spectroscopy /
Tang, Fujie.

Structures and Dynamics of Interfacial WaterInput from Theoretical Vibrational Sum-frequency Spectroscopy /[electronic resource] :by Fujie Tang. - 1st ed. 2019. - XVII, 93 p.online resource. - Springer Theses, Recognizing Outstanding Ph.D. Research,2190-5053. - Springer Theses, Recognizing Outstanding Ph.D. Research,.

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.

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.

ISBN: 9789811389658

Standard No.: 10.1007/978-981-13-8965-8doiSubjects--Topical Terms:

1253596
Atomic structure .

LC Class. No.: QC173.4.A87

Dewey Class. No.: 539

Structures and Dynamics of Interfacial Water = Input from Theoretical Vibrational Sum-frequency Spectroscopy /
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