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

✍ Scribed by Fujie Tang

Publisher: Springer Singapore
Year: 2019
Tongue: English
Leaves: 107
Series: Springer Theses
Edition: 1st ed.
Category: Library

No coin nor oath required. For personal study only.

✦ Synopsis

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.

✦ Table of Contents

Front Matter ....Pages i-xvii
Introduction (Fujie Tang)....Pages 1-10
Theoretical Methods in This Thesis (Fujie Tang)....Pages 11-21
Definition of Free O–H Group at the Air–Water Interface (Fujie Tang)....Pages 23-39
Orientational Distribution of Free O–H Groups of Interfacial Water (Fujie Tang)....Pages 41-56
Structure and Dynamics of the Ice-Air Interface (Fujie Tang)....Pages 57-78
Structure and Dynamics of Water-TiO2 Interface (Fujie Tang)....Pages 79-90
Conclusion and Perspectives (Fujie Tang)....Pages 91-93

✦ Subjects

Physics; Atomic/Molecular Structure and Spectra; Soft and Granular Matter, Complex Fluids and Microfluidics; Numerical and Computational Physics, Simulation; Spectroscopy and Microscopy; Surface and Interface Science, Thin Films

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