相关论文: Thermal and Vibrationally Activated Decomposition …
We study an excited atom-polar molecular ion chemical reaction (Ca$^*$ + BaCl$^+$) at low temperature by utilizing a hybrid atom-ion trapping system. The reaction rate and product branching fractions are measured and compared to model…
Chemiluminescent radiation of the vibrationally and rotationally excited OH radical, which dominates the nighttime near-infrared emission of the Earth's atmosphere in wide wavelength regions, is an important tracer of the chemical and…
To gain insight into the dynamics of the CN + C2H6 gas-phase reaction, quasi-classical trajectory (QCT) calculations were performed on a full-dimensional analytical potential energy surface. This reaction presents very high exothermicity,…
The solid-state reaction C + H$_2$O $\rightarrow$ H$_2$CO was studied experimentally following the codeposition of C atoms and H$_2$O molecules at low temperatures. In spite of the reaction barrier and absence of energetic triggering, the…
We present a theoretical analysis of formation and kinetics of hot OH molecules in the upper atmosphere of Mars produced in reactions of thermal molecular hydrogen and energetic oxygen atoms. Two major sources of energetic O considered are…
Radical recombination has been proposed to lead to the formation of complex organic molecules (COMs) in CO-rich ices in the early stages of star formation. These COMs can then undergo hydrogen addition and abstraction reactions leading to a…
Understanding heterogeneous charge transfer is crucial if we are to build the best electrolyzers, fuel cells and photoelectrochemical water splitting devices that chemistry allows. Because the elementary processes involved have timescales…
Context. Radical chemical reactions on cosmic dust grains play a crucial role in forming various chemical species. Among different radicals, the hydroxyl (OH) is one of the most important ones, with a rather specific chemistry. Aims. The…
This work provides the first full set of vibrational and rotational spectral data needed to aid in the detection of AlH$_3$OH$_2$, SiH$_3$OH, and SiH$_3$NH$_2$ in astrophysical or simulated laboratory environments through the use of quantum…
Oxygen-containing yttrium hydride (YHO) and molybdenum trioxide (MoO$_3$) bilayer films (YHO/MoO$_3$) are produced using reactive magnetron sputtering, and their photochromic properties are investigated in relation to the thickness and…
A study of a reacting boundary layer flow with heat transfer at conditions typical for configurations at elevated pressures has been performed using a set of direct numerical simulations. Effects of wall temperatures are investigated,…
Understanding the dehydrogenation of transition metal oxide surfaces under electrochemical potential is critical to the control of important chemical processes such as the oxygen evolution reaction (OER). Using first principles…
Five recently developed chemical kinetics mechanisms for ammonia oxidation are analysed and compared, in the context of homogeneous adiabatic autoignition. The analysis focuses on the ignition delay and is based on the explosive mode that…
We present the first systematic observation of scaling of thermal hysteresis with the temperature scanning rate around an abrupt thermodynamic transition in correlated electron systems. We show that the depth of supercooling and…
The intermetallic compound ZrCo and its hydrides are important materials for their use in hydrogen isotope storage. The dynamical, thermodynamic and elastic properties of ZrCo and its hydrides ZrCoX3 (X= H, D and T) are reported. While the…
The photochemically induced ring-opening isomerization reaction of 1,3-cyclohexadiene (CHD) to 1,3,5-hexatriene (HT) is a textbook example of a pericyclic reaction, and has been amply investigated with advanced spectroscopic techniques. The…
Most protoplanetary disks experience a phase in which they are subjected to strong ultraviolet radiation from nearby massive stars. This UV radiation can substantially alter their chemistry by producing numerous radicals and molecular ions.…
Energy and charge transfer between molecules and metal surfaces underpin heterogeneous catalysis, surface-enhanced spectroscopies and plasmon-driven chemistry, yet the microscopic origins of vibrational excitation at metal interfaces remain…
Methanol (CH3OH) is thought to form on interstellar ice dust via successive hydrogenation reactions. The reaction between CH3 and OH radicals could also conceivably generate methanol at temperatures above approximately 20 K, at which…
$Aims$: We revisit with new augmented accuracy the theoretical dynamics of basic isotope exchange reactions involved in the $^{12}$C/$^{13}$C, $^{16}$O/$^{18}$O, and $^{14}$N/$^{15}$N balance because these reactions have already been…