Related papers: Modeling the kinetic behavior of the Li-RHC system…
We tune the thermodynamics of hydrogen absorption in Mg by means of elastic clamping. The loading isotherms measured by hydrogenography show that Mg films covered with Mg-alloy-forming elements, such as Pd and Ni, have hydrogen plateau…
The proposed model concerns the 'confluent shrinking core' scenario and reproduces the desorption kinetic after the complete decay of the stoichiometric hydride ($\beta$-phase). The exact analytical solution is obtained, the numerical…
Electrodeposition and stripping are fundamental electrochemical processes for metals and have gained importance in rechargeable Li-ion batteries due to lithium metal electrodes. The electrode kinetics associated with lithium metal…
Covalent and ionic polyhydrides have become the two main camps in searching for the high-temperature superconductors under pressure. They have been considered as important platforms for exploring ternary or multiple hydrides in order to…
Battery thermal management systems (BTMSs) are critical for efficient and safe operation of lithium-ion batteries (LIBs), especially for fast charging/discharging applications that generate significant heating within the cell. Forced…
Charge-transfer-to-solvent (CTTS) reactions of hydroxide induced by 200 nm monophotonic or 337 nm and 389 nm biphotonic excitation of this anion in aqueous solution have been studied by means of pump-probe ultrafast laser spectroscopy.…
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…
We study two thermo-electrochemical models for lithium-ion batteries. The first is based on volume averaging the electrode microstructure whereas the second is based on the pseudo-two-dimensional (P2D) approach which treats the electrode as…
The process of hydrogen desorption from graphane (graphene sheet saturated by hydrogen adsorbed from both sides) has been studied using the method of molecular dynamics. The temperature dependences of the time of desorption onset for…
Li$_2$AuH$_6$ and Li$_2$AgH$_6$ have been proposed as promising candidates for high-temperature superconductors under ambient pressure. While previous studies confirm the dynamic stability of these two thermodynamically unstable systems,…
Using first-principles density functional theory simulations, we have observed that the scandium decorated C$_{24}$ fullerene can adsorb up to six hydrogen molecules with an average adsorption energy of -0.35 eV per H$_2$ and average…
Rovibronic molecular hydrogen (H$_2$) transitions at redshift $z_{\rm abs} \simeq 2.659$ towards the background quasar B0642$-$5038 are examined for a possible cosmological variation in the proton-to-electron mass ratio, $\mu$. We utilise…
Atomic hydrogen energy levels calculated to high precision are required to assist experimental researchers working on spectroscopy in the pursuit of testing quantum electrodynamics (QED) and probing for physics beyond the Standard Model.…
Simple analytic formulae for energy relaxation (ER) in electron-ion systems, with quantum corrections, ion dynamics and RPA-type screening are presented. ER in the presence of bound electrons is examined in view of of recent simulations for…
Hydrogen-rich ternary hydrides are promising candidates for high-Tc superconductivity at megabar pressures, yet their chemical space is vast and largely unexplored. Combining evolutionary structure searches with first-principles…
We propose a multi-layer graphene-based device in which storage and release of atomic hydrogen is obtained by exploiting and controlling the corrugation of the layers. The proposal is based on density-functional simulations of hydrogen…
In this work, we studied the hydrogen adsorption-desorption properties and storage capacities of Ti functionalized [2,2,2]paracyclophane (PCP222) using density functional theory and molecular dynamic simulation. The Ti atom was bonded…
We report on the frozen-spin polarized hydrogen--deuteride (HD) targets for photoproduction experiments at SPring-8/LEPS. Pure HD gas with a small amount of ortho-H2 (~0.1%) was liquefied and solidified by liquid helium. The temperature of…
Experiments with antihydrogen ($\overline{\text{H}}$) for a study of matter--antimatter symmetry and antimatter gravity require ultracold $\overline{\text{H}}$ to reach ultimate precision. A promising path towards anti-atoms much colder…
This paper presents a modeling study of the oxidation of cyclohexane from low to intermediate temperature (650-1050 K), including the negative temperature coefficient (NTC) zone. A detailed kinetic mechanism has been developed using…