Structures and Dynamics of Interfacial Water
Input from Theoretical Vibrational Sum-frequency Spectroscopy
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. Les mer
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Vår pris:
1519,-
(Paperback)
Fri frakt!
Leveringstid: Sendes innen 21 dager
På grunn av Brexit-tilpasninger og tiltak for å begrense covid-19 kan det dessverre oppstå forsinket levering.
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.
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.
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.