Design of Self-Assembled Monolayer in Tungsten Diselenide Bilayer for Exciton Dissociation.

Transition metal dichalcogenides (TMDs) have emerged as promising candidates for next-generation self-powered photodetectors due to their distinct optoelectronic properties, including strong light-matter interactions. However, their high exciton binding energies impede efficient exciton dissociation, hindering viable photodetector applications. This study, based on first-principles calculations, introduces a design approach featured by the asymmetrically enclosed structure of the TMD bilayer, i.

Machine learning approaches for predicting and validating mechanical properties of Mg rare earth alloys for light weight applications.

In this work, we have attempted to predict the mechanical behaviour of light weight Mg-based rare earth alloys fabricated through different mechanical and thermal processes. Our approach involves machine learning techniques across a range of different thermomechanical processes such as solution treatment, homogenization, extrusion and aging behaviour. The effectiveness of machine learning models is evaluated using performance metrics, including Coefficient of determination (R), Mean Absolute Error (MAE) and Root Mean Square Error (RMSE).

Complete Mapping of Thermodynamic Stability of Ternary Oxide SrTiO (001) Surface at Finite Temperatures.

The oxide surface structure plays a vital role in controlling and utilizing the emergent phenomena occurring at the interface of nanoarchitecture. A complete understanding of ternary oxide surfaces remains challenging due to complex surface reconstructions in various chemical and physical environments. Here a thermodynamic framework is developed to treat the stability of ternary oxide surfaces with finite temperature and chemical environments.

Surface triggered stabilization of metastable charge-ordered phase in SrTiO.

Charge ordering (CO), characterized by a periodic modulation of electron density and lattice distortion, has been a fundamental topic in condensed matter physics, serving as a potential platform for inducing novel functional properties. The charge-ordered phase is known to occur in a doped system with high d-electron occupancy, rather than low occupancy. Here, we report the realization of the charge-ordered phase in electron-doped (100) SrTiO epitaxial thin films that have the lowest d-electron occupancy i.

Geometrical Doping at the Atomic Scale in Oxide Quantum Materials.

Chemical dopants enabling a plethora of emergent physical properties have been treated as randomly and uniformly distributed in the frame of a three-dimensional doped system. However, in nanostructured architectures, the location of dopants relative to the interface or boundary can greatly influence device performance. This observation suggests that chemical dopants need to be considered as discrete defects, meaning that geometric control of chemical dopants becomes a critical aspect as the physical size of materials scales down into the nanotechnology regime.

Expeditiously Crystallized Pure Orthorhombic-HfZrO for Negative Capacitance Field Effect Transistors.

Ultralow-power logic devices are next-generation electronics in which their maximum efficacies are realized at minimum input power expenses. The integration of ferroelectric negative capacitors in the regular gate stacks of two-dimensional field-effect transistors addresses two intriguing challenges in today's electronics; short channel effects and high operating voltages. The complementary-metal-oxide-semiconductor-compatible HfZrO (HZO) is an excellent ferroelectric material crystallized in a noncentrosymmetric o-phase.

Design of Piezoelectric Actuator for Braille Module by Finite Element Method.

Piezoelectric actuators, exhibiting large displacement and torque, are attractive for use in a broad range of actuator applications. One of the important applications is a tactile device, e.g.

Electron-Lattice Coupling in Correlated Materials of Low Electron Occupancy.

In correlated materials including transition metal oxides, electronic properties and functionalities are modulated and enriched by couplings between the electron and lattice degrees of freedom. These couplings are controlled by external parameters such as chemical doping, pressure, magnetic and electric fields, and light irradiation. However, the electron-lattice coupling relies on orbital characters, i.

Sharpened VO Phase Transition via Controlled Release of Epitaxial Strain.

Phase transitions in correlated materials can be manipulated at the nanoscale to yield emergent functional properties, promising new paradigms for nanoelectronics and nanophotonics. Vanadium dioxide (VO), an archetypal correlated material, exhibits a metal-insulator transition (MIT) above room temperature. At the thicknesses required for heterostructure applications, such as an optical modulator discussed here, the strain state of VO largely determines the MIT dynamics critical to the device performance.

Oxygen Vacancy Linear Clustering in a Perovskite Oxide.

Oxygen vacancies have been implicitly assumed isolated ones, and understanding oxide materials possibly containing oxygen vacancies remains elusive within the scheme of the isolated vacancies, although the oxygen vacancies have been playing a decisive role in oxide materials. Here, we report the presence of oxygen vacancy linear clusters and their orientation along a specific crystallographic direction in SrTiO, a representative of a perovskite oxide. The presence of the linear clusters and associated electron localization was revealed by an electronic structure represented in the increase in the Ti valence state or corresponding Ti 3d electronic configuration along with divacancy cluster model analysis and transport measurement.

Reliable Piezoelectricity in Bilayer WSe for Piezoelectric Nanogenerators.

Recently, piezoelectricity has been observed in 2D atomically thin materials, such as hexagonal-boron nitride, graphene, and transition metal dichalcogenides (TMDs). Specifically, exfoliated monolayer MoS exhibits a high piezoelectricity that is comparable to that of traditional piezoelectric materials. However, monolayer TMD materials are not regarded as suitable for actual piezoelectric devices due to their insufficient mechanical durability for sustained operation while Bernal-stacked bilayer TMD materials lose noncentrosymmetry and consequently piezoelectricity.

Effect of laser fluence on electrical properties of (Sr0.75,La0.25)TiO3 thin films grown by pulsed-laser-deposition.

We have grown Sr0.75La0.25TiO3 (SLTO) thin films using pulsed laser deposition (PLD) with various laser energy fluences.

Numerical and experimental study of actuator performance on piezoelectric microelectromechanical inkjet print head.

We have investigated the actuator performance of a piezoelectrically actuated inkjet print head via the numerical and experimental analysis. The actuator consisting of multi-layer membranes, such as piezoelectric, elastic and other buffer layers, and ink chamber was fabricated by MEMS processing. The maximum displacement of the actuator membrane obtained in the experiment is explained by numerical analysis.

Quantum confinement-induced tunable exciton states in graphene oxide.

Graphene oxide has recently been considered to be a potential replacement for cadmium-based quantum dots due to its expected high fluorescence. Although previously reported, the origin of the luminescence in graphene oxide is still controversial. Here, we report the presence of core/valence excitons in graphene-based materials, a basic ingredient for optical devices, induced by quantum confinement.

Selective semihydrogenation of alkynes on shape-controlled palladium nanocrystals.

A systematic study on the selective semihydrogenation of alkynes to alkenes on shape-controlled palladium (Pd) nanocrystals was performed. Pd nanocrystals with a cubic shape and thus exposed {100} facets were synthesized in an aqueous solution through the reduction of Na2PdCl4 with L-ascorbic acid in the presence of bromide ions. The Pd nanocubes were tested as catalysts for the semihydrogenation of various alkynes such as 5-decyne, 2-butyne-1,4-diol, and phenylacetylene.

All graphene-based thin film transistors on flexible plastic substrates.

High-performance, flexible all graphene-based thin film transistor (TFT) was fabricated on plastic substrates using a graphene active layer, graphene oxide (GO) dielectrics, and graphene electrodes. The GO dielectrics exhibit a dielectric constant (3.1 at 77 K), low leakage current (17 mA/cm(2)), breakdown bias (1.

Hydrogen adsorption and carrier generation in LaAlO3-SrTiO3 heterointerfaces: a first-principles study.

Using the first-principles method, we investigate the hydrogen adsorption on the polar AlO(2) surface of LaAlO(3)-SrTiO(3) heterostructures with an n-type interface. It is found that the H atom is most stable when bound at the surface O atom. The adsorption energy for a given H density is lowered (i.

Oxygen vacancy clustering and electron localization in oxygen-deficient SrTiO(3): LDA + U study.

We find, using a local density approximation +Hubbard U method, that oxygen vacancies tend to cluster in a linear way in SrTiO(3), a prototypical perovskite oxide, accompanied by strong electron localization at the 3d state of the nearby Ti transition metal ion. The vacancy clustering and the associated electron localization lead to a profound impact on materials properties, e.g.