相关论文: Modeling the kinetic behavior of the Li-RHC system…
Aqueous rechargeable batteries are promising energy storage devices for the high safety, environmental friendliness, and easy assembly. However, their cycle stability and low temperature performance are limited by the narrow electrochemical…
In this paper, the stability analysis of an anaerobic digestion process is presented. The analysis is performed using a simplified mathematical model, which includes explicit temperature and pH dependence on kinetic growth rates. A detailed…
In this letter we report the first room temperature gravimetric measurements of hydrogen absorption in nanoscale titanium-benzene complexes formed by laser ablation in a benzene atmosphere in a UHV chamber. We are able to obtain a 6% by…
We present ac susceptibility and specific heat measurements taken on samples of LiHo$_x$Y$_{1-x}$F$_4$ in the dilute limit: x = 0.018, 0.045, 0.080 and 0.12. Susceptibility measurements show glassy behavior including wide absorption spectra…
Molecular dynamics simulations are used to study the mechanism and kinetics of hydrated electron diffusion. The electron center of mass is found to exhibit Brownian-type behavior with a diffusion coefficient considerably greater than that…
Recent theoretical and experimental studies of hydrogen-rich materials at megabar pressures (i.e., >100 GPa) have led to the discovery of very high-temperature superconductivity in these materials. Lanthanum superhydride LaH$_{10}$ has been…
The United States Department of Energy (DOE) has set ambitious targets for hydrogen storage materials for onboard light-duty cars which are to be achieved by 2027. One of the major problems in solid hydrogen storage materials is the…
Single-atom catalysts are potentially ideal model systems to investigate structure-function relationships in catalysis, if the active sites can be uniquely determined. In this work, we study the interaction of C2H4 with a model…
Hydrogen is a promising element for applications in new energy sources like fuel cells. One key issue for such applications is storing hydrogen. And, to improve storage capacity, understanding the interaction mechanism between hydrogen and…
Potential energy curves for excited leptonic states of the helium-antihydrogen system are calculated within Ritz' variational approach. An explicitly correlated ansatz for the leptonic wave function is employed describing accurately the…
The thermodynamics of several reactions involving atomic and molecular hydrogen with group-III acceptors is investigated. The results provide a first-principles-level account of thermally- and carrier-activated processes involving these…
We present a fast and simple way to determine the erosion rate and absorption coefficient of hydrogenated amorphous carbon films exposed to a hydrogen atomic source based on ex-situ Raman micro-spectroscopy. Results are compared to…
We investigate the optical response of a charge-transfer complex in a condensed phase driven by an external laser field. Our model includes an instantaneous short-range Coulomb interaction and a local optical vibrational mode described by…
Hydrogen's growing role in the transition towards climate-neutral energy systems necessitates structured modeling frameworks. Existing gas network models, largely developed for natural gas, fail to capture hydrogen systems distinct…
The structural, vibrational, energetic and electronic properties of hydrogen at the stoichiometric RuO2(110) termination are studied using density functional theory. The oxide surface is found to stabilize both molecular and dissociated H2.…
Nanocrystalline CuO-CuFe2O4 composite thin films were developed from CuFeO2 ceramic target using a radio frequency sputtering method followed by a thermal oxidation process. This fabrication process helps to develop porous sensing layers…
Molecular dynamics simulations are performed to study the temperature-dependent dynamics and structures of the hydration shells of elastin-like and collagen-like peptides. For both model peptides, it is consistently observed that, upon…
Under a pressure of ~150 GPa solid molecular hydrogen undergoes a phase transition accompanied by a dramatic rise in infra-red absorption in the vibron frequency range. We use the Berry's phase approach to calculate the electric…
In this study, a single-phase nanocrystalline Al-Cu-Fe-Ni-Cr high-entropy alloy (HEA) has been synthesized by mechanical alloying and comprehensively investigated for hydrogen storage responses evaluated in details. High-energy attritor…
The electrical resistivity of liquid hydrogen has been measured at the high dynamic pressures, densities and temperatures that can be achieved with a reverberating shock wave. The resulting data are most naturally interpreted in terms of a…