Structures and Dynamics of Interfacial Water: Input from Theoretical Vibrational Sum-frequency Spectroscopy (Springer Theses) - Softcover

Buch 612 von 797: Springer Theses

Tang, Fujie

 
9789811389672: Structures and Dynamics of Interfacial Water: Input from Theoretical Vibrational Sum-frequency Spectroscopy (Springer Theses)
Softcover
ISBN 10: 9811389675 ISBN 13: 9789811389672
Verlag: Springer, 2020

Inhaltsangabe

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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Über die Autorin bzw. den Autor

Dr. Fujie Tang received his Ph.D. degree from Peking University. His research interests include ab initio calculation, ab initio molecular dynamics, classical molecular dynamics, dynamic and thermodynamic property analysis, interface characterizations, and the theory and simulation of sum frequency generation spectroscopy of gas phase/solid interfaces. He received “The Excellent Doctoral Dissertation” award from Peking University in 2018. 

Von der hinteren Coverseite

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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Verlag
Springer
Erscheinungsdatum
2020
Sprache
Englisch
ISBN 10 
9811389675
ISBN 13 
9789811389672
Einband
Taschenbuch
Auflage
1
Anzahl der Seiten
112
Kontakt zum Hersteller
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Darmstadt
64293
Deutschland

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9789811389641: Structures and Dynamics of Interfacial Water: Input from Theoretical Vibrational Sum-frequency Spectroscopy (Springer Theses)

Vorgestellte Ausgabe

ISBN 10:  9811389640 ISBN 13:  9789811389641
Verlag: Springer, 2019
Hardcover