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In the last decade, there has been a surge of experiments showing that certain chemical reactions undergo an enormous boost when taken from bulk aqueous conditions to microdroplet environments. The microscopic basis of this phenomenon…

Sum frequency generation vibrational spectra of the water molecules at the NaF and KF aqueous solution surfaces showed significantly different spectral features and different concentration dependence. This result is the first direct…

Chemical Physics · Physics 2016-08-29 Ran-ran Feng , Hong-tao Bian , Yuan Guo , Hong-fei Wang*

The origin of enhanced reactivity in aqueous microdroplets remains debated, with interfacial electric fields (IEFs) often invoked as catalytic drivers. Here, we provide a quantum-mechanical, spatially resolved characterization of the…

Understanding the reactivity and spectroscopy of aqueous solutions at the atomistic level is crucial for the elucidation and design of chemical processes. However, the simulation of these systems requires addressing the formidable…

Chemical Physics · Physics 2017-02-28 Ondrej Marsalek , Thomas E. Markland

Mesoscale water-hydrophobic interfaces are of fundamental importance in multiple disciplines, but their molecular properties have remained elusive for decades due to experimental complications and alternate theoretical explanations.…

Chemical Physics · Physics 2024-05-06 Lixue Shi , R. Allen LaCour , Xiaoqi Lang , Joseph P. Heindel , Teresa Head-Gordon , Wei Min

Water at solid surfaces is key for many processes ranging from biological signal transduction to membrane separation and renewable energy conversion. However, under realistic conditions, which often include environmental and surface charge…

The recent application of electrosprays to characterize the air-water interface, along with the reports on dramatically accelerated chemical reactions in aqueous electrosprays, have sparked a broad interest. Herein, we report on…

Per- and polyfluoroalkyl substances are a class of synthetic chemical compounds widely used as coatings to lower surface energies. Yet the microscopic mechanisms of their weak interaction with water and organic compounds remain poorly…

Chemical Physics · Physics 2026-04-06 Maximilian R. Becker , Ruben Cruz , Kenichi Ataka , Joachim Heberle , Roland R. Netz

Molecular-level insight into interfacial water at buried electrode interfaces is essential in elucidating many phenomena of electrochemistry, but spectroscopic probing of the buried interfaces remains challenging. Here, using…

The surface charge of a water interface determines many fundamental processes in physical chemistry and interface science, and it has been intensively studied for over a hundred years. We summarize experimental methods to characterize the…

Chemical Physics · Physics 2021-09-23 Yuki Uematsu

Friction at water-carbon interfaces remains a major puzzle with theories and simulations unable to explain experimental trends in nanoscale waterflow. A recent theoretical framework -- quantum friction (QF)-- proposes to resolve these…

Soft Condensed Matter · Physics 2023-01-10 Anna T. Bui , Fabian L. Thiemann , Angelos Michaelides , Stephen J. Cox

Surface specific vibrational spectroscopies revolutionized the study of charged interfaces, by sensitively probing water's response in the electric double layer (EDL) and correlating it with surface charge via models like Gouy Chapmann…

Chemical Physics · Physics 2025-04-07 Wanlin Chen , Marie-Pierre Gaigeot , Simone Pezzotti

Hydrophobic solid-water interfaces underpin processes in nanofluidics, electrochemistry, and energy technologies. Microscopic insights into these systems are often inferred from our understanding of the air-water interface, which is assumed…

Most properties of liquid water are determined by its hydrogen-bond network. Because forming an aqueous interface requires termination of this network, one might expect the molecular level properties of interfacial water to markedly differ…

Chemical Physics · Physics 2017-11-28 Yujin Tong , Tobias Kampfrath , R. Kramer Campen

The initial interaction of water with semiconductors determines the electronic structure of the solid-liquid interface. The exact nature of this interaction is, however, often unknown. Here, we study gallium phosphide-based surfaces exposed…

Materials Science · Physics 2019-05-15 Matthias M. May , Helena Stange , Jonas Weinrich , Thomas Hannappel , Oliver Supplie

Vibrational spectroscopy is key for probing the interplay between the structure and dynamics of aqueous systems. In order to map different regions of experimental spectra to the microscopic structure of a system, it is important to combine…

Chemical Physics · Physics 2021-08-09 Sam Shepherd , Jinggang Lan , David M. Wilkins , Venkat Kapil

The molecular water structure at charged aqueous interfaces is shaped by interfacial electric fields, which can induce significant anisotropy in the molecular orientations extending over nanometer-scale distances. Despite great relevance,…

Chemical Physics · Physics 2025-12-03 Álvaro Diaz-Duque , Vasileios Balos , Martin Wolf , Alexander P. Fellows , Martin Thämer

Electric field fluctuations play a major role in dissociation reactions in liquid water and determine its vibrational spectroscopic response. Here, we study the statistics of electric fields in liquid water using molecular dynamics computer…

Statistical Mechanics · Physics 2015-05-13 Bernhard Reischl , Jürgen Köfinger , Christoph Dellago

The structures of interfaces of nano- and microscale objects in aqueous solution are important for a wide variety of physical, chemical and biological processes. Vibrational sum frequency scattering has emerged as a useful and unique probe…

Chemical Physics · Physics 2020-07-22 Sergey Kulik , Saranya Pullanchery , Sylvie Roke

Quantitative description of reaction mechanisms in aqueous phase electrochemistry requires experimental characterization of local water structure at the electrode/aqueous interface and its evolution with changing potential. Gaining such…

Chemical Physics · Physics 2017-11-07 Yujin Tong , François Lapointe , Matin Thämer , Martin Wolf , R. Kramer Campen
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