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Lithium metal batteries (LMBs), when coupled with a localized high-concentration electrolyte and a high-voltage nickel-rich cathode, offer a solution to the increasing demand for high energy density and long cycle life. However, the…
MXene transition-metal carbides and nitrides are of growing interest for energy storage applications. These compounds are especially promising for use as pseudocapacitive electrodes due to their ability to convert energy electrochemically…
Liquid metal batteries (LMBs) are a promising alternative for large-scale stationary energy storage for renewable applications. Using high-abundance electrode materials such as Sodium and Zinc is highly desirable due to their low cost and…
Quantum batteries utilize nonclassical resources to achieve charging speed and energy storage performances that surpass classical thermodynamic limits. However, the practical realization of quantum batteries is often constrained by the…
To pursuit high electrochemical performance of supercapacitors based on Faradaic charge-transfer with redox reaction or absorption/desorption effect, the intercalation efficiency of electrolyte ions into electrode materials is a crucial…
We have performed ab initio calculations within the LDA+U method in the multilayered system (LaMnO$_3$)$_{2n}$ / (SrMnO$_3$)$_n$. Our results suggest a charge-ordered state that alternates Mn$^{3+}$ and Mn$^{4+}$ cations in a checkerboard…
We study a two-dimensional model for a long cylindrical stiff charged macroion immersed in a charge-asymmetric electrolyte with charge ratio +2/-1. The model is integrable and it allows an exact analytical determination of the effective…
Nanoporous supercapacitors play an important role in modern energy storage systems, and their modeling is essential to predict and optimize the charging behaviour. Two classes of models have been developed that consist of finite and…
Charge injection into a molecule on a metallic interface is a key step in many photo-activated reactions. The energy barrier for injection is paralleled with the lowest particle and hole addition energies. We employ Green's function…
Recently demonstrated superconducting atom-chips provide a platform for trapping atoms and coupling them to solid-state quantum systems. Controlling these devices requires a full understanding of the supercurrent distribution in the…
LiMn2O4 (LMO), cathodes present large stability when cycled in aqueous electrolytes, contrasting its behavior in conventional organic electrolytes in Lithium-ion batteries (LIBs). To elucidate the mechanisms underlying this distinctive…
We investigate the distribution of the electron density and the potential in a quantum wire coupled to reservoirs, treating this structure as a unified quantum system and taking into account the Coulomb interaction of electrons. The…
We consider a 2-1 electrolyte in contact with a narrow nanotube, which only allows one-dimensional storage along the axis. The asymmetry does not allow an a priori definition of the potential of zero charge; instead, the natural reference…
Based on first-principles calculations, we explored the interplay between stacking effect and electron-electron correlation in the layered vdW material of bulk 1T-NbS2 with a 2D charge density wave (CDW) order. Without considering the…
We study experimentally and theoretically the effects of disorder, nonlinear screening, and magnetism in semiconductor heterostructures containing a $\delta$-layer of Mn, where the charge carriers are confined within a quantum well and…
Next-generation high-energy-density batteries require ideally stable metal anodes, for which smooth metal deposits during battery recharging are considered a sign of interfacial stability that can ensure high efficiency and long cycle life.…
Charge order is now accepted as an integral constituent of cuprate high-temperature superconductors, one that is intimately related to other instabilities in the phase diagram including antiferromagnetism and superconductivity. Unlike…
The study focuses on NMC811, a promising material for high-capacity batteries, and investigates the challenges associated with its use, specifically the formation of the Cathode Electrolyte Interphase (CEI) layer due to chemical reactions.…
Hybrid materials, which combine inorganic and molecular components, often exhibit structural flexibility that enables unusual functional responses. Among them, Prussian blue analogues (PBAs) are a promising class for post-lithium battery…
Depopulation of the Mn$^{2+}$ state in ZnO:Mn upon illumination, monitored by quenching of the Mn$^{2+}$ EPR signal intensity, was observed at temperatures below 80~K. Mn$^{2+}$ photoquenching is shown to result from the Mn$^{2+}$ $\to$…