相关论文: Relativity and the lead-acid battery
We use the random phase approximation (RPA) method with the singles correlation energy contributions to calculate lattice energies of ten molecular solids. While RPA gives too weak binding, underestimating the reference data by $13.7$\% on…
The electric dipole polarizabilities and hyperpolarizabilities for the lithium isotopes $^6$Li and $^7$Li in the ground state $2^2S$ and the excited states $2^2P$ and $3^2D$, as well as the leading resonance and dispersion long-range…
For relativistic three-body calculations, essentially two different approaches are in use: field theory and relativistic direct interactions. Results for relativistic corrections of the triton binding energy obtained from the two approaches…
Atomic-sized lead (Pb) contacts are deposited and dissolved in an electrochemical environment, and their transport properties are measured. Due to the electrochemical fabrication process, we obtain mechanically unstrained contacts and…
Positron binding to silver and gold atoms was studied using a fully {\it ab initio} relativistic method, which combines the configuration interaction method with many-body perturbation theory. It was found that the silver atom forms a bound…
The turn-on voltage of an LED is an important parameter as it determined the power consumption of the LED and influences the effective power conversion efficiency.
The entropic coefficient of a lithium-ion battery cell is used to calculate the reversible heat of a battery during operation, which is a non-negligible part for the battery thermal modelling. The contribution of this article is to propose…
We report ab initio correlated relativistic calculations of the effective electric field W_d acting on the electron in two excited electronic states of PbO, required for extracting the electric dipole moment of the electron from an ongoing…
In a recent issue of Joule, Dongmin Im and coworkers from Samsung in South Korea describe a prototype lithium-O2 battery that reaches 700 Wh kg-1 and 600 Wh L-1 on cell level. They cut all components to the minimum to reach this value.…
The Rydberg formula along with the Ritz quantum defect ansatz has been a standard theoretical tool used in atomic physics since before the advent of quantum mechanics, yet this approach has remained limited by its non-relativistic…
An asymmetric atom trap is investigated as a means to implement a "battery" that supplies ultracold atoms to an atomtronic circuit. The battery model is derived from a scheme for continuous loading of a non-dissipative atom trap proposed by…
We study the stability of Li-O compounds as a function of pressure, with Li ion battery applications and fundamental chemical interest in mind. Using the ab initio evolutionary algorithm, we predict stability of novel compounds LiO4, Li5O3…
Accurate predictions for hydrogen molecular levels require the treatment of electrons and nuclei on an equal footing. While nonrelativistic theory has been effectively formulated this way, calculation of relativistic and quantum…
Relativistic calculations for the $g$ factor of the lowest excited states $2p_{1/2}$ and $2p_{3/2}$ of lithium-like ions over a wide range of the nuclear charge numbers $Z=10-92$ are presented. Interelectronic interaction is considered…
Modeling lithium-ion battery (LIB) degradation offers significant cost savings and enhances the safety and reliability of electric vehicles (EVs) and battery energy storage systems (BESS). Whilst data-driven methods have received great…
In this work we show that relativistic contributions to the ground state energy of the hydrogen atom arising from the presence of a minimal length introduced by a Lorentz-covariant algebra are more relevant than non-relativistic ones, and…
A basic quantity in the characterization of relativistic particles is the proton-to-electron (p/e) energy density ratio. We derive a simple approximate expression suitable to estimate this quantity, U_p/U_e = (m_p/m_e)^(3-q)/2, valid when a…
In this study, we address the challenge of electrolyte degradation in all-solid-state humidified Li-$O_2$ batteries, which offer high theoretical energy density and potential cost advantages over conventional lithium-ion batteries.…
We have demonstrated a fiber lithium ion battery (LIB) fabricated by co-twisting a LiFePO4 composite-coated copper wire (cathode) together with an aluminum wire (anode). An all-solid LiPF6 composite layer functioning both as the electrolyte…
The relativistic nuclear recoil corrections to the energy levels of low-laying states of hydrogen-like and high $Z$ lithium-like atoms in all orders in $\alpha Z$ are calculated. The calculations are carried out using the B-spline method…