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

Tang, Fujie

 
9789811389641: Structures and Dynamics of Interfacial Water: Input from Theoretical Vibrational Sum-frequency Spectroscopy (Springer Theses)
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ISBN 10: 9811389640 ISBN 13: 9789811389641
Editorial: Springer, 2019

Sinopsis

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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Acerca del 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. 

De la contraportada

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.

"Sobre este título" puede pertenecer a otra edición de este libro.

Editorial
Springer
Año de publicación
2019
Idioma
Inglés
ISBN 10 
9811389640
ISBN 13 
9789811389641
Encuadernación
Tapa dura
Número de edición
1
Número de páginas
112
Contacto del fabricante
ProductSafety@springernature.com
ProductSafety@springernature.com

Poststr. 9
Darmstadt
64293
Alemania

Otras ediciones populares con el mismo título

9789811389672: Structures and Dynamics of Interfacial Water: Input from Theoretical Vibrational Sum-frequency Spectroscopy (Springer Theses)

Edición Destacada

ISBN 10:  9811389675 ISBN 13:  9789811389672
Editorial: Springer, 2020
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