相关论文: Design and control of dynamical quantum processes …
We investigate the evolution of the ortho-to-para ratio of overall (gas + ice) H$_2$ via the nuclear spin conversion on grain surfaces coated with water ice under physical conditions that are relevant to star- and planet-forming regions. We…
Context: Fast surface conversion between ortho- and para-H2 has been observed in laboratory studies, and this mechanism has been proposed to play a role in the control of the ortho-para ratio in the interstellar medium. Observations of…
We investigate how the H$_2$ ortho-to-para ratio (OPR) and dueterium fractionation in star-forming regions are affected by nuclear spin conversion (NSC) on dust grains. Particular focus is placed on the rotational energy difference between…
For large-scale deployment and use of polymer electrolyte fuel cells, high-performance electrocatalysts with low platinum consumption are desirable. One promising strategy to meet this demand is to explore alternative materials that retain…
We extend our recent theoretical work on the bending relaxation of H$_2$O in collisions with H$_2$ by including the three water modes of vibration coupled with rotation, as well as the rotation of H$_2$. Our full quantum close-coupling…
The H2 molecule has two nuclear spin isomers, the so-called ortho and para isomers. Nuclear spin conversion (NSC) between these states is forbidden in the gas phase. The energy difference between the lowest ortho and para states is as large…
Deuterium fractionation, i.e. the enhancement of deuterated species with respect to the non-deuterated ones, is considered to be a reliable chemical clock of star-forming regions. This process is strongly affected by the ortho-to-para (o-p)…
Hydrogen is a promising energy carrier and key agent for many industrial chemical processes1. One method for generating hydrogen sustainably is via the hydrogen evolution reaction (HER), in which electrochemical reduction of protons is…
Electrochemical energy and substance conversion devices involve complex electrode processes, characterized by multiple charge transfer steps, competing pathways, and various intermediates. Such complexity makes it challenging to enhance…
The quantum diffusion of ortho-H2 impurities in solid para-H2 has been investigated with a torsional oscillator technique. The unclustering dynamics of agglomerated impurities with increasing temperature are found to greatly affect the…
High-harmonic generation (HHG) in two-dimensional materials offers a compelling route toward compact extreme ultraviolet sources and probing electron dynamics on the attosecond scale. However, achieving precise control over the emission and…
The operational flexibility of industrial power-to-hydrogen (P2H) plants enables admittance of volatile renewable power and provides auxiliary regulatory services for the power grid. Aiming to extend the flexibility of the P2H plant…
We investigate the water deuteration ratio and ortho-to-para nuclear spin ratio of H2 (OPR(H2)) during the formation and early evolution of a molecular cloud, following the scenario that accretion flows sweep and accumulate HI gas to form…
Multi-hydrogenated species with proper symmetry properties can present different spin configurations, and thus exist under different spin symmetry forms, labeled as para and ortho for two-hydrogen molecules. We investigated here the…
Irradiation of isolated water molecules by few-cycle pulses of intense infrared laser light can give rise to ultrafast rearrangement resulting in formation of the H2+ ion. Such unimolecular reactions occur on the potential energy surface of…
We have studied the evolution of molecular gas during the early stages of protostellar collapse. In addition to allowing for the freeze out of `heavy' species on to grains, we have computed the variation of population densities of the…
At the core of attosecond science lies the ability to generate laser pulses of sub-femtosecond duration. In tabletop devices the process relies on high-harmonic generation, where a major challenge is to obtain high yields and high cutoff…
The interaction of hydrogen with many transition metal surfaces is characterized by a coexistence of activated with non-activated paths to adsorption with a broad distribution of barrier heights. By performing six-dimensional quantum…
The photoconversion of CO$_2$ to hydrocarbons is a sustainable route to its transformation into value-added compounds and, thereby, crucial to mitigating the energy and climate crises. CuPt nanoparticles on TiO$_2$ surfaces have been…
Quantum coherence inherently affects the dynamics and the performances of a quantum machine. Coherent control can, at least in principle, enhance the work extraction and boost the velocity of evolution in an open quantum system. Using…