相关论文: Energy Redistribution following CO$_2$ Formation o…
Water has many anomalous properties compared to "simple" liquids, and these anomalies are typically enhanced in supercooled water. While numerous models have been proposed, including the liquid-liquid critical point, the singularity-free…
The behavior of liquid water under an electric field is a crucial phenomenon in science and engineering. However, its detailed description at a microscopic level is difficult to achieve experimentally. Here we report on the first ab initio…
We propose an experimental method to fully characterize the energy exchange of particles during the physical vapor deposition process of thin surface layers. Our approach is based on the careful observation of perturbations of the…
Chemical processes on the surface of icy grains play an important role in the chemical evolution in molecular clouds. In particular, reactions involving non-energetic hydrogen atoms accreted from the gaseous phase have been extensively…
Water molecules confined between biological membranes exhibit a distinctive non-Gaussian displacement distribution, far different from bulk water. Here, we introduce a new transport equation for water molecules in the intermembrane space,…
Copper-based catalysts are of particular interest for electrochemical reduction of CO$_2$ (CO2RR) as products beyond CO can form. To improve activity and selectivity, several studies have focused on the addition of other elements as…
We present results from high-resolution three-dimensional simulations of turbulent interstellar gas that self-consistently follow its coupled thermal, chemical and dynamical evolution, with a particular focus on the formation and…
We present the first accurate rate coefficients for the rotational excitation of CO by H2O in the kinetic temperature range 5-100 K. The statistical adiabatic channel method (SACM) is combined with a high-level rigid-rotor CO-H2O…
In equilibrium and supercooled liquids, polymorphism is manifested by thermodynamic regions defined in the phase diagram, which are predominantly of different short- and medium-range order (local structure). It is found that on the phase…
The isothermal compressibility of water is essential to understand its anomalous properties. We compute it by ab initio molecular dynamics simulations of 200 molecules at five densities, using two different van der Waals density…
We investigate the physical and chemical processes at work during the formation of a massive protostar based on the observation of water in an outflow from a very young object previously detected in H2 and SiO in the IRAS 17233-3606 region.…
I have investigated the structural and dynamic properties of water by performing a series of molecular dynamic simulations in the range of temperatures from 213 K to 360 K, using the Simple Point Charge-Extended (SPC/E) model. I performed…
The formation of water molecules from the reaction between ozone (O3) and D-atoms is studied experimentally for the first time. Ozone is deposited on non-porous amorphous solid water ice (H2O), and D-atoms are then sent onto the sample held…
In the present study, we conduct direct numerical simulations of two-way force-coupled particle-laden compressible turbulent boundary layers at the free-stream Mach number of 2.0 for the purpose of examining the effects of particles on the…
The response of water to electric fields is critical to the performance and stability of electrochemical devices, and the selectivity of enzymatic, atmospheric, and organic reactions. A key process in this context is the water…
We have investigated the water abundance in shock-heated molecular gas, making use of $Herschel$ measurements of far-infrared CO and H$_2$O line emissions in combination with $Spitzer$ measurements of mid-IR H$_2$ rotational emissions. We…
In stark contrast to the conventional charge density wave (CDW) materials, the one-dimensional CDW on the In/Si(111) surface exhibits immediate damping of the CDW oscillation during the photoinduced phase transition. Here, by successfully…
This work aims to study the energy transfer and recombination processes in N$_{2}$$\left(^{1}\sum^{+}_{g}\right)$+N$\left(^{4}S_{u}\right)$ and O$_{2}$$\left(^{3}\sum^{+}_{g}\right)$+O$\left(^{3}P_{2}\right)$ chemical systems when the…
The distribution of molecules between the gas and solid phase during star and planet formation, determines the trajectory of gas and grain surface chemistry, as well as the delivery of elements to nascent planets. This distribution is…
Fundamental inorganic chemistry shows that increasing concentrations of atmospheric CO2 will have no harmful effect on organisms that live in the natural waters of the Earths, and may well benefit them. Alkalinity and dissolved CO2 give…