Structures and Dynamics of Interfacial Water
Structures and Dynamics of Interfacial Water

Author: Duanyun Cao

Publisher: Springer Nature

Published: 2023-03-14

Total Pages: 149

ISBN-13: 9811969213

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This thesis highlights the study into the structures and dynamics of interfacial water, which is a cutting edge issue in condensed matter physics. Using the first principles calculation, classical molecular dynamics simulation and the simulation of atomic force microscopy (AFM), combined with the experimental results of AFM, the book systematically studies interfacial water at the atomic scale, especially the structure and growth mechanism of two-dimensional ice on hydrophobic Au (111) surface, the structure and the interconversion of the Eigen/Zundel hydrated proton on the Au(111) and Pt(111) surfaces, the microstructure and the hydration effect of the diffusion of ion hydrates on NaCl surface. This book displays the atomic scale information about the interaction between water and surface, and achieves many innovative results. Furthermore, the research methods included in this book can be further extended to study the more complex interfacial systems.

Specific Ion Effects
Specific Ion Effects

Author: Werner Kunz

Publisher: World Scientific

Published: 2010

Total Pages: 347

ISBN-13: 9814271586

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Specific ion effects are important in numerous fields of science and technology. This book summarizes the main ideas that came up over the years. It presents the efforts of theoreticians and supports it by the experimental results stemming from various techniques.

Structures and Dynamics of Interfacial Water
Structures and Dynamics of Interfacial Water

Author: Fujie Tang

Publisher: Springer

Published: 2019-06-20

Total Pages: 107

ISBN-13: 9811389659

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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.

Water in Biological and Chemical Processes
Water in Biological and Chemical Processes

Author: Biman Bagchi

Publisher: Cambridge University Press

Published: 2013-11-14

Total Pages: 383

ISBN-13: 1107037298

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A unified overview of the dynamical properties of water and its unique and diverse role in biological and chemical processes.

Interfacial Dynamics
Interfacial Dynamics

Author: Nikola Kallay

Publisher: CRC Press

Published: 2000-01-03

Total Pages: 780

ISBN-13: 9780824700065

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An examination of the theoretical foundations of the kinetics and thermodynamics of solid-liquid interfaces, as well as state-of-the-art industrial applications, this book presents information on surface and colloidal chemical processes and evaluates vital analytical tools such as atomic force microscopy, surface force apparatus measurements, and photon correlation spectroscopy.

Surface and Interface Science, Volumes 7 and 8
Surface and Interface Science, Volumes 7 and 8

Author: Klaus Wandelt

Publisher: John Wiley & Sons

Published: 2020-03-30

Total Pages: 1002

ISBN-13: 3527411593

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Dieses einzigartige Handbuch in zehn Bänden behandelt alle grundlegenden Aspekte der Oberflächen- und Grenzflächenwissenschaften, bietet für Wissenschaftler der Fachrichtung einen umfassenden Überblick über das Forschungsgebiet und eignet sich als Einführung für alle, die neu in dem Fachgebiet sind.

Molecular Modeling of Geochemical Reactions
Molecular Modeling of Geochemical Reactions

Author: James D. Kubicki

Publisher: John Wiley & Sons

Published: 2016-07-12

Total Pages: 436

ISBN-13: 1118845080

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Molecular processes in nature affect human health, the availability of resources and the Earth’s climate. Molecular modelling is a powerful and versatile toolbox that complements experimental data and provides insights where direct observation is not currently possible. Molecular Modeling of Geochemical Reactions: An Introduction applies computational chemistry to geochemical problems. Chapters focus on geochemical applications in aqueous, petroleum, organic, environmental, bio- and isotope geochemistry, covering the fundamental theory, practical guidance on applying techniques, and extensive literature reviews in numerous geochemical sub-disciplines. Topics covered include: • Theory and Methods of Computational Chemistry • Force Field Application and Development • Computational Spectroscopy • Thermodynamics • Structure Determination • Geochemical Kinetics This book will be of interest to graduate students and researchers looking to understand geochemical processes on a molecular level. Novice practitioners of molecular modelling, experienced computational chemists, and experimentalists seeking to understand this field will all find information and knowledge of use in their research.

Interfacial Electrochemistry
Interfacial Electrochemistry

Author: Andrzej Wieckowski

Publisher: Routledge

Published: 2017-11-22

Total Pages: 1008

ISBN-13: 1351437569

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This text probes topics and reviews progress in interfacial electrochemistry. It supplies chapter abstracts to give readers a concise overview of individual subjects and there are more than 1500 drawings, photographs, micrographs, tables and equations. The 118 contributors are international scholars who present theory, experimentation and applications.

Interfacial Electrochemistry
Interfacial Electrochemistry

Author: Wolfgang Schmickler

Publisher: Springer Science & Business Media

Published: 2010-08-26

Total Pages: 273

ISBN-13: 3642049370

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Electrochemistry is an old branch of physical chemistry. Due to the development of surface sensitive techniques, and a technological interest in fuel cells and batteries, it has recently undergone a rapid development. This textbook treats the field from a modern, atomistic point of view while integrating the older, macroscopic concepts. The increasing role of theory is reflected in the presentation of the basic ideas in a way that should appeal to experimentalists and theorists alike. Special care is taken to make the subject comprehensible to scientists from neighboring disciplines, especially from surface science. The book is suitable for an advanced course at the master or Ph.D. level, but should also be useful for practicing electrochemists, as well as to any scientist who wants to understand modern electrochemistry.

Graphene–Electrolyte Interfaces
Graphene–Electrolyte Interfaces

Author: Hualin Zhan

Publisher: CRC Press

Published: 2020-04-07

Total Pages: 169

ISBN-13: 1000066789

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Graphene–electrolyte systems are commonly found in cutting-edge research on electrochemistry, biotechnology, nanoelectronics, energy storage, materials engineering, and chemical engineering. The electrons in graphene intimately interact with ions from an electrolyte at the graphene–electrolyte interface, where the electrical or chemical properties of both graphene and electrolyte could be affected. The electronic behavior therefore determines the performance of applications in both Faradaic and non-Faradaic processes, which require intensive studies. This book systematically integrates the electronic theory and experimental techniques for both graphene and electrolytes. The theoretical sections detail the classical and quantum description of electron transport in graphene and the modern models for charges in electrolytes. The experimental sections compile common techniques for graphene growth/characterization and electrochemistry. Based on this knowledge, the final chapter reviews a few applications of graphene–electrolyte systems in biosensing, neural recording, and enhanced electronic devices, in order to inspire future developments. This multidisciplinary book is ideal for a wide audience, including physicists, chemists, biologists, electrical engineers, materials engineers, and chemical engineers.