相关论文: Methane Oxidation to Methanol without CO2 Emission…
Membrane-electrode-assembly (MEA) cells with copper (Cu) cathodes show strong potential for electrochemical CO2 reduction to ethylene (C2H4), but achieving high C2H4 selectivity remains a challenge due to competing hydrogen evolution. This…
The scattering of neutral particles by an atomic nucleus can lead to electronic ionisation and excitation through a process known as the Migdal effect. We revisit and improve upon previous calculations of the Migdal effect, using the…
Deuterated molecules have been detected and studied toward Orion BN/KL in the past decades, mostly with single-dish telescopes. However, high angular resolution data are critical not only for interpreting the spatial distribution of the…
The simultaneous detection of organic molecules of the form C$_2$H$_{\text{n}}$O, such as ketene (CH$_2$CO), acetaldehyde (CH$_3$CHO), and ethanol (CH$_3$CH$_2$OH), toward early star-forming regions offers hints of shared chemical history.…
The thermonuclear burn-up of highly compressed deuterated methane CD$_4$ is considered in the spherical geometry. The minimal required values of the burn-up parameter $x = \rho_0 \cdot r_f$ are determined for various temperatures $T$ and…
In this study, the dynamic oxidation state changes of pure Pt and 50at% PtPd alloy catalysts were investigated during a temperature ramp from 80 to 450 C under a reactive gas mixture of 500 ppm NO and 3 % Oxygen in Nitrogen atmosphere.…
The dehydrogenation reaction of methanol on metal supported MgO(100) films has been studied by employing periodic density functional calculations. As far as we know, the dehydrogenation of single methanol molecule over inert oxide…
Dielectric response in methanol measured in wide pressure and temperature range ($P < 6.0$ GPa; 100 K $<T<$ 360 K) reveals a series of anomalies which can be interpreted as a transformation between several solid phases of methanol including…
In this paper is calculated and analyzed the dielectric behavior of carbon dioxide - methanol mixture and evaluate how the correct reproduction of the electrical properties of this molecules influences in the mixture of these two…
We observed 14 methanol transitions near lambda=2 mm in Galactic star-forming regions. Broad, quasi-thermal J(0)-J(-1)E methanol lines near 157 GHz were detected toward 73 sources. Together with the 6(-1)-5(0)E and 5(-2)-6(-1)E lines at 133…
Increasing anthropogenic carbon dioxide (CO$_2$) emissions have led to rising global temperatures and climate change. Using earth-abundant metal-oxide catalysts such as Cu$_2$O for reducing CO$_2$ through RWGS reaction seems lucrative. In…
Small aromatic molecules, including functionalized derivatives of benzene, are known to be present throughout the different stages of star and planet formation. In particular, oxygen-bearing monosubstituted aromatics, likely including…
Numerical calculations of the sensitivity coefficients, Q_mu, of microwave molecular transitions in the ground torsion-rotation state of deuterated methanol (CH3OD, CD3OH, and CD3OD) to small variations in the fundamental physical constant…
We report the first detection of triply-deuterated methanol, with 12 observed transitions, towards the low-mass protostar IRAS 16293-2422, as well as multifrequency observations of 13CH3OH, used to derive the column density of the main…
In this study, we innovatively modeled photon-enhanced thermionic emission (PETE) devices, incorporating positive ion injection and bidirectional discharge's effects on the space charge barrier simultaneously. Compared to previous models,…
Plasmons can drive chemical reactions by directly exciting intramolecular transitions. However, strong coupling of plasmons to single molecules remains a challenge as ultra-small mode volumes are required. In the presented work, we propose…
The dissociative adsorption of methane on variously oxidized Pd, Pt and Pd-Pt surfaces is investigated using density-functional theory, as a step towards understanding the combustion of methane on these materials. For Pd-Pt alloys, models…
Using density functional theory molecular dynamics simulations, we predict shock Hugoniot curves of precompressed methane up to 75000 K for initial densities ranging from 0.35 to 0.70 g/cc. At 4000 K, we observe the transformation into a…
A complete model for estimating the electric conductivity of combustion product gases, with added cesium (Cs) or potassium (K) vapor for ionization, is presented. Neutral carrier gases serve as the bulk fluid that carries the seed material,…
TThis works proposes modifications to the values of input parameters in widely accepted semi-analytical models of thermodynamic properties of hydrogen and its binary mixtures to improve their prediction accuracy. The modifications include…