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We present the coupling of two frameworks -- the pseudo-open boundary simulation method known as constant potential Molecular Dynamics simulations (C$\mu$MD), combined with QMMD calculations -- to describe the properties of graphene…
V-telluride superlattice thin films have shown promising performance for on-chip cooling devices. Recent experimental studies have indicated that device performance is limited by the metal/semiconductor electrical contacts. One challenge in…
The world is at the cusp of a new era where pivotal importance is being attached to the development of sustainable and high-performance energy storage systems. Potassium-ion batteries are deemed not only as cheap battery candidates, but…
Understanding carrier dynamics in photoexcited metal-halide perovskites is key for optoelectronic devices such as solar cells (low carrier densities) and lasers (high carrier densities). Trapping processes at low carrier densities and…
On-chip photodetectors are essential components in optical communications as they convert light into an electrical signal. Photobolometers are type of photodetector that functions through a resistance change caused by electronic temperature…
Broadband electrochromism from visible to infrared wavelengths is attractive for applications like smart windows, thermal-camouflage, and temperature control. In this work, the broadband electrochromic properties of Li4Ti5O12 (LTO) and its…
Transition-metal (TM) atom-functionalized nanomaterials are promising candidates for hydrogen storage due to their ability to adsorb multiple hydrogen molecules through Kubas interactions. However, achieving efficient hydrogen desorption at…
The Cryogenic Dark Matter Search low ionization threshold experiment (CDMSlite) achieved efficient detection of very small recoil energies in its germanium target, resulting in sensitivity to Lightly Ionizing Particles (LIPs) in a…
Dielectric barrier discharge (DBD) plasma is used for various applications. DBD is also one of the most efficient and low-cost methods for active fluid flow control. In this study, a detailed physical model of DBD in atmospheric pressure at…
Transition metal dichalcogenide (TMDC) monolayers have attracted much attention due to their strong light absorption and excellent electronic properties. These advantages make this type of two-dimensional crystal a promising one for…
The results of our investigation of ion implantation of PLGA show that the PLGA films undergo crosslinking, carbonization and etching. The PLGA coating degrades in water by a hydrolysis reaction. The dewetting of PLGA coating under water is…
Ionic liquids (ILs) are an extremely exciting class of electrolytes for energy storage applications because of their unique combination of properties. Upon dissolving alkali metal salts, such as Li or Na based salts, with the same anion as…
Manipulating the electrostatic double layer and tuning the conductance in nanofluidic systems at salt concentrations of 100 mM or higher has been a persistent challenge. The primary reasons are (i) the short electrostatic proximity length,…
The temperature dependence of electric transport properties of single-layer and few-layer graphene at large charge doping is of great interest both for the study of the scattering processes dominating the conductivity at different…
By using constrained density functional theory modeling, we demonstrate that ultrafast optical pumping unveils hidden charge orders in group VI monolayer transition metal ditellurides. We show that irradiation of the insulating 2H phases…
Implicit solvation is an effective, highly coarse-grained approach in atomic-scale simulations to account for a surrounding liquid electrolyte on the level of a continuous polarizable medium. Originating in molecular chemistry with finite…
Hybrid electrolyte materials comprising polymer-ionic salt matrixes embedded with garnet particles constitute a promising class of materials for the realization of all-solid-state batteries. In addition to providing solutions to the safety…
Infrared (IR) transmittance tunable metal-insulator conversion was demonstrated on glass substrate by using thermochromic vanadium dioxide (VO2) as the active layer in three-terminal thin-film-transistor-type device with water-infiltrated…
Spinel-type LiNi0.5Mn1.5O4 (LNMO) is one of the most promising 5 V-class cathode materials for Li-ion batteries that can achieve high energy density and low production costs. However, in liquid electrolyte cells, the high voltage causes…
Ionic liquids provide versatile pathways for controlling the structures and properties of quantum materials. Previous studies have reported electrostatic gating of nanometre-thick flakes leading to emergent superconductivity, insertion or…