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The predominant reason for the damaging power of high-energy radiation is multiple ionization of a molecule, either direct or via the decay of highly excited intermediates, as e.g., in the case of X-ray irradiation. Consequently, the…

We present a 2D lattice model of water to study the effects of ion hydration on the properties of water. We map the water molecules as lattice particles consisting of a single Oxygen at the center of a site and two Hydrogen atoms on each…

软凝聚态物质 · 物理学 2015-11-12 S. Dutta , Yongjin Lee , Y. S. Jho

Water dimer $(\text{H}_2\text{O})_2$ -- a vital component of the earth's atmosphere -- is an important prototypical hydrogen-bonded system. It provides direct insight into fundamental chemical and biochemical processes, e.g., proton…

原子与分子团簇 · 物理学 2024-03-18 Ivo S. Vinklárek , Hubertus Bromberger , Nidin Vadassery , Wuwei Jin , Jochen Küpper , Sebastian Trippel

A recent study of soft X-ray absorption in native and hydrogenated coronene cations, C$_{24}$H$_{12+m}^+$ $m=0-7$, led to the conclusion that additional hydrogen atoms protect (interstellar) Polycyclic Aromatic Hydrocarbon (PAH) molecules…

The recent wave of detections of interstellar aromatic molecules has sparked interest in the chemical behavior of aromatic molecules under astrophysical conditions. In most cases, these detections have been made through chemically related…

星系天体物理 · 物理学 2021-07-07 April M. Miksch , Annalena Riffelt , Ricardo Oliveira , Johannes Kästner , Germán Molpeceres

Understanding the hydration and diffusion of ions in water at the molecular level is a topic of widespread importance. The ammonium ion (NH$_4^+$) is an exemplar system that has received attention for decades because of its complex…

计算物理 · 物理学 2025-01-14 Jianqing Guo , Liying Zhou , Andrea Zen , Angelos Michaelides , Xifan Wu , Enge Wang , Limei Xu , Ji Chen

Soft X-ray irradiation of molecules causes electronic core-level vacancies through photoelectronemission. In light elements, such as C, N, or O, which are abundant in the biosphere, these vacancies predominantly decay by Auger emission,…

The ability of water to dissolve biomolecules is crucial for our life. It has been shown that protein has a profound effect on the behavior of water in its hydration shell, which in turn affects the structure and function of the protein.…

软凝聚态物质 · 物理学 2022-08-26 Rui Shi

Hydrogen produced from the photocatalytic splitting of water is one of the reliable alternatives to replace the polluting fossil and the radioactive nuclear fuels. Here, we provide unequivocal evidence for the existence of blue- and…

After ionization of an inner-valence electron of molecules, the resulting cation-radicals store substantial internal energy which, if sufficient, can trigger ejection of an additional electron in an Auger decay usually followed by molecule…

The radiation-induced damages in bio-molecules are ubiquitous processes in radiotherapy, radio-biology and critical to space-projects. In this study we present a precise quantification of the fragmentation mechanisms of deoxyribonucleic…

生物物理 · 物理学 2022-01-28 Santosh KC , Ramin Abolfath

A single water molecule has nothing special. However, macroscopic water displays many anomalous properties at the interface, such as a high surface tension, hydrophobicity and hydrophillicity. Although the underlying mechanism is still…

材料科学 · 物理学 2016-03-15 Wei Hu , Zhenyu Li , Jinlong Yang

In the perspective of long term geological storage, high level nuclear wastes will be overpacked in low carbon steel containers. In that context, we have studied the influence of oxygen dissolved in water on iron corrosion. Therefore,…

We present a probabilistic approach to water-water hydrogen bonding that allows one to obtain an analytic expression for the number of bonds per water molecule as a function of both its distance to a hydrophobic particle and hydrophobe…

软凝聚态物质 · 物理学 2013-03-20 Yuri S. Djikaev , Eli Ruckenstein

Advanced in situ techniques based on electrons and X-rays are increasingly used to gain insights into fundamental materials dynamics in liquid media. Yet, ionizing radiation changes the solution chemistry. In this work, we show that…

Photocatalytic water splitting reaction on TiO2 surface is one of the fundamental issues that bears significant implication in hydrogen energy technology and has been extensively studied. However, the existence of the very first reaction…

化学物理 · 物理学 2011-11-15 Shijing Tan , Yongfei Ji , Yang Wang , Jin Zhao , Aidi Zhao , Bing Wang , Yi Luo , Jinlong Yang , J. G. Hou

We demonstrate the spatial separation of pyrrole and pyrrole(H$_2$O) clusters from the other atomic and molecular species in a supersonically-expanded beam of pyrrole and traces of water seeded in high-pressure helium gas. The experimental…

原子与分子团簇 · 物理学 2019-05-15 Melby Johny , Jolijn Onvlee , Thomas Kierspel , Helen Bieker , Sebastian Trippel , Jochen Küpper

Water is necessary both for the evolution of life and its continuance. It possesses particular properties that cannot be found in other materials and that are required for life-giving processes. These properties are brought about by the…

软凝聚态物质 · 物理学 2007-06-13 Martin Chaplin

The intermolecular interaction between a water molecule and the electrons in aromatic {\pi} systems--the water-{\pi} bond--lies at the heart of many chemical processes, yet its properties remain challenging to measure experimentally and…

化学物理 · 物理学 2026-04-14 N. LeMessurier , E. Katz , R. Pant , S. Ganley , H. Salzmann , L. M. McCaslin , J. M. Weber , J. D. Eaves

The photophysics and photochemistry associated with irradiating UV light in liquid water is central to numerous physical, chemical and biological processes. One of the key events involved in this process is the generation of the hydrated…

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