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Metals are commonly used as electrostatic gates in devices due to their abundant charge carrier densities that are necessary for efficient charging and discharging. A semiconducting gate can be beneficial for certain fabrication processes,…
Electric double layer supercapacitors are promising devices for high-power energy storage based on the reversible absorption of ions into porous, conducting electrodes. Graphene is a particularly good candidate for the electrode material in…
We investigate Atomic Layer Deposition (ALD) of metal oxide on pristine and functionalized graphene. On pristine graphene, ALD coating can only actively grow on edges and defect sites, where dangling bonds or surface groups react with ALD…
Enhanced EV market penetration requires durability of the battery with high energy throughput. For long-term cycle stability of silicon-graphite anode capable of high energy density, the reversible redox reactions are crucial. Here, we…
Experiments have shown that pitting corrosion can develop in aluminum surfaces at potentials $> -0.5$ V relative to the standard hydrogen electrode (SHE). Until recently, the onset of pitting corrosion in aluminum has not been rigorously…
Intercalation reactions modify the charge density in van der Waals (vdW) materials through coupled electronic-ionic charge accumulation, and are susceptible to modulation by interlayer hybridization in vdW heterostructures. Here, we…
The interaction of metals with carbon materials, specifically with graphene, is of importance for various technological applications. In particular, intercalation of alkali metals is believed to provide a means for tuning the electronic…
Density functional theory calculations for the electronic structures of the 4H-SiC(0001)/SiO$_2$ interface with atomic-scale steps are carried out to investigate the effect of NO annealing. The characteristic behavior of the conduction band…
We present periodic Density Functional Theory calculations of the electronic properties of molecular junctions formed by amine-, and thiol-terminated alkane chains attached to two metal (Au, Ag) electrodes. Based on extensive analysis that…
The capacitance of the double layer formed at a metal/ionic-conductor interface can be remarkably large, so that the apparent width of the double layer is as small as 0.3 \AA. Mean-field theories fail to explain such large capacitance. We…
With a large portfolio of elemental quantum components, superconducting quantum circuits have contributed to dramatic advances in microwave quantum optics. Of these elements, quantum-limited parametric amplifiers have proven to be essential…
Density functional theory (DFT) and many body perturbation theory at the G$_0$W$_0$ level are employed to study the electronic properties of polythiophene (PT) adsorbed on graphene surface. Analysis of charge density difference shows the…
Stringent physical requirements need to be met for the high performing surface-electrode ion traps used in quantum computing, sensing, and timekeeping. In particular, these traps must survive a high temperature environment for vacuum…
Alkali metal atoms (Li, Na, K, Rb, Cs), dimers and (2$\times$2) monolayers on a graphite (0001) surface have been studied using density functional theory, pseudopotentials, and a periodic substrate. The adatoms bind at the hollow site…
Recently, Ksenofontov et al (arXiv:2510.03256) observed ambient pressure room-temperature superconductivity in graphite intercalated with lithium-based alloys with transition temperature (according to magnetization measurements) $T_c=330$…
Under various conditions of the growth process, when the presumably unconventional superconductor Sr$_2$RuO$_4$ (SRO) contains micro-inclusions of Ru metal, the superconducting critical temperature increases significantly. An STEM study…
With the use of density functional theory calculations and addition of van der Waals correction, the graphene/HfS$_2$ heterojunction is constructed, and its electronic properties are examined thoroughly. This interface is determined as…
Work function-mediated charge transfer in graphene/$\alpha$-RuCl$_3$ heterostructures has been proposed as a strategy for generating highly-doped 2D interfaces. In this geometry, graphene should become sufficiently doped to host surface and…
We report that atomic-layer alloying (intermixing) at a Pt/Co interface can increase, by approximately 30%, rather than degrade the interfacial spin transparency, and thereby strengthen the efficiency of the dampinglike spin-orbit torque…
Mesoscopic Josephson junctions (JJs), consisting of overlapping superconducting electrodes separated by a nanometer thin oxide layer, provide a precious source of nonlinearity for superconducting quantum circuits and are at the heart of…