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. Furtherm...

Πλήρης περιγραφή

Λεπτομέρειες βιβλιογραφικής εγγραφής
Κύριος συγγραφέας: Tang, Fujie (Συγγραφέας, http://id.loc.gov/vocabulary/relators/aut)
Συγγραφή απο Οργανισμό/Αρχή: SpringerLink (Online service)
Μορφή: Ηλεκτρονική πηγή Ηλ. βιβλίο
Γλώσσα:English
Έκδοση: Singapore : Springer Singapore : Imprint: Springer, 2019.
Έκδοση:1st ed. 2019.
Σειρά:Springer Theses, Recognizing Outstanding Ph.D. Research,
Θέματα:
Διαθέσιμο Online:Full Text via HEAL-Link
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100 1 |a Tang, Fujie.  |e author.  |4 aut  |4 http://id.loc.gov/vocabulary/relators/aut 
245 1 0 |a Structures and Dynamics of Interfacial Water  |h [electronic resource] :  |b Input from Theoretical Vibrational Sum-frequency Spectroscopy /  |c by Fujie Tang. 
250 |a 1st ed. 2019. 
264 1 |a Singapore :  |b Springer Singapore :  |b Imprint: Springer,  |c 2019. 
300 |a XVII, 93 p.  |b online resource. 
336 |a text  |b txt  |2 rdacontent 
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490 1 |a Springer Theses, Recognizing Outstanding Ph.D. Research,  |x 2190-5053 
505 0 |a 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. 
520 |a 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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