Ion solvation free energy calculations based on first-principles molecular dynamics thermodynamic integration.

Numerous electrochemistry reactions require the precise calculation of the ion solvation energy. Despite the significant progress in the first-principles calculations for crystals and defect formation energies for solids, the liquid system free energy calculations still face many challenges. Ion solvation free energies can be calculated via different semiempirical ways, e.

Van der Waals Epitaxial Growth of Ultrathin Indium Antimonide on Arbitrary Substrates through Low-Thermal Budget.

III-V semiconductors possess high mobility, high frequency response, and detection sensitivity, making them potentially attractive for beyond-silicon electronics applications. However, the traditional heteroepitaxy of III-V semiconductors is impeded by a significant lattice mismatch and the necessity for extreme vacuum and high temperature conditions, thereby impeding their in situ compatibility with flexible substrates and silicon-based circuits. In this study, a novel approach is presented for fabricating ultrathin InSb single-crystal nanosheets on arbitrary substrates with a thickness as thin as 2.

Rational design of 2D Janus 31 MN (M = Cu, Zr, and Hf) and their surface-functionalized derivatives: ferromagnetic, piezoelectric, and photocatalytic properties.

In this study, first-principles calculations were employed to rationally design two-dimensional (2D) Janus transition metal nitrides of 31 MN phases, where M is a d-block element (Sc-Zn, Y-Cd, Hf-Hg). Among the 29 examined 2D MN, three 2D phases, namely 31 CuN, ZrN, and HfN, exhibit excellent thermodynamic, dynamic, mechanical, and thermal stabilities. These novel Janus 2D materials exhibit ferromagnetic metallic and half-metallic behavior.

Efficient pure-red perovskite light-emitting diodes with strong passivation via ultrasmall-sized molecules.

Perovskite light-emitting diodes (PeLEDs) have attracted great attention in recent years; however, the halogen vacancy defects in perovskite notably hamper the development of high-efficiency devices. Previously, large-sized passivation agents have been usually used, while the effect of defect passivation is limited due to the weak bonding or the large space steric hindrance. Here, we predict that the ultrasmall-sized formate (Fa) and acetate (Ac) have more efficient passivation ability because of the stronger binding with the perovskite, as demonstrated by density functional theory calculation.

Single-Photon Emission from Point Defects in Hexagonal Boron Nitride Induced by Plasma Treatment.

Solid-state quantum emitters are gaining significant attention for many quantum information applications. Hexagonal boron nitride (h-BN) is an emerging host material for generating bright, stable, and tunable single-photon emission with narrow line widths at room temperature. In this work, we present a facile and efficient approach to generate high-density single-photon emitters (SPEs) in mechanically exfoliated h-BN through H- or Ar-plasma treatment followed by high-temperature annealing in air.

Theoretical calculations and experimental verification of carbon dioxide reduction electrocatalyzed by metalloporphyrin.

Metal-functionalized porphyrin-like graphene structures are promising electrocatalysts for carbon dioxide reduction reaction (CORR) as their metal centers can modulate activity. Yet, the role of metal center of metalloporphyrins (MTPPs) in CO reaction activity is still lacking deep understanding. Here, CORR mechanism on MTPPs with five different metal centers (M = Fe, Co, Cu, Zn and Ni) are examined by first-principles calculations.

The Influence Mechanism of Quantum Well Growth and Annealing Temperature on In Migration and Stress Modulation Behavior.

This study explores the effects of growth temperature of InGaN/GaN quantum well (QW) layers on indium migration, structural quality, and luminescence properties. It is found that within a specific range, the growth temperature can control the efficiency of In incorporation into QWs and strain energy accumulated in the QW structure, modulating the luminescence efficiency. Temperature-dependent photoluminescence (TDPL) measurements revealed a more pronounced localized state effect in QW samples grown at higher temperatures.

Investigation of the Absorption Spectrum of InAs Doping Superlattice Solar Cells.

InAs doping superlattice-based solar cells have great advantages in terms of the ability to generate clean energy in space or harsh environments. In this paper, multi-period InAs doping superlattice solar cells have been prepared..

Memory-electroluminescence for multiple action-potentials combination in bio-inspired afferent nerves.

The development of optoelectronics mimicking the functions of the biological nervous system is important to artificial intelligence. This work demonstrates an optoelectronic, artificial, afferent-nerve strategy based on memory-electroluminescence spikes, which can realize multiple action-potentials combination through a single optical channel. The memory-electroluminescence spikes have diverse morphologies due to their history-dependent characteristics and can be used to encode distributed sensor signals.

Dual sensitivity-enhanced microring resonance-based integrated microfluidic biosensor for Aβ detection.

Sensitive, accurate, and straightforward biosensors are pivotal in the battle against Alzheimer's disease, particularly in light of the escalating patient population. These biosensors enable early adjunctive diagnosis, thereby facilitating prompt intervention, alleviating socioeconomic burdens, and preserving individual well-being. In this study, we introduce the development of a highly sensitive add-drop dual-microring resonant microfluidic sensing chip boasting a sensitivity of 188.

Construction of AlGaN/GaN high-electron-mobility transistor-based biosensor for ultrasensitive detection of SARS-CoV-2 spike proteins and virions.

The COVID-19 pandemic has highlighted the need for rapid and sensitive detection of SARS-CoV-2. Here, we report an ultrasensitive SARS-CoV-2 immunosensor by integration of an AlGaN/GaN high-electron-mobility transistor (HEMT) and anti-SARS-CoV-2 spike protein antibody. The AlGaN/GaN HEMT immunosensor has demonstrated the capability to detect SARS-CoV-2 spike proteins at an impressively low concentration of 10 M.

Protocol for evaluating the effect of potential on electrochemical reactions via the grand canonical fixed-potential technique.

The grand canonical constant potential approach is a cornerstone for modeling the electrochemical reactions under work conditions. Here, we present a protocol for evaluating the effect of potential on electrochemical reactions using the grand canonical fixed-potential technique. We describe steps for installing PWmat software, preparing input files for the fixed-potential calculation, and simulating different electrochemical states under the same potential.

Multi-function sensing applications based on high Q-factor multi-Fano resonances in an all-dielectric metastructure.

A multi-function sensor based on an all-dielectric metastructure for temperature and refractive index sensing simultaneously is designed and analyzed in this paper. The structure is composed of a periodic array of silicon dimers placed on the silicon dioxide substrate. By breaking the symmetry of the structure, the ideal bound states in the continuum can be converted to the quasi-bound states in the continuum, and three Fano resonances are excited in the near-infrared wavelength.

Temperature Dependence of Relativistic Valence Band Splitting Induced by an Altermagnetic Phase Transition.

Altermagnetic (AM) materials exhibit non-relativistic, momentum-dependent spin-split states, ushering in new opportunities for spin electronic devices. While the characteristics of spin-splitting are documented within the framework of the non-relativistic spin group symmetry, there is limited exploration of the inclusion of relativistic symmetry and its impact on the emergence of a novel spin-splitting in the band structure. This study delves into the intricate relativistic electronic structure of an AM material, α-MnTe.

All-silicon multidimensionally-encoded optical physical unclonable functions for integrated circuit anti-counterfeiting.

Integrated circuit anti-counterfeiting based on optical physical unclonable functions (PUFs) plays a crucial role in guaranteeing secure identification and authentication for Internet of Things (IoT) devices. While considerable efforts have been devoted to exploring optical PUFs, two critical challenges remain: incompatibility with the complementary metal-oxide-semiconductor (CMOS) technology and limited information entropy. Here, we demonstrate all-silicon multidimensionally-encoded optical PUFs fabricated by integrating silicon (Si) metasurface and erbium-doped Si quantum dots (Er-Si QDs) with a CMOS-compatible procedure.

Range-Intensity-Profile-Guided Gated Light Ranging and Imaging Based on a Convolutional Neural Network.

Three-dimensional (3D) range-gated imaging can obtain high spatial resolution intensity images as well as pixel-wise depth information. Several algorithms have been developed to recover depth from gated images such as the range-intensity correlation algorithm and deep-learning-based algorithm. The traditional range-intensity correlation algorithm requires specific range-intensity profiles, which are hard to generate, while the existing deep-learning-based algorithm requires large number of real-scene training data.

High-Sensitivity Seawater Refraction Index Optical Measurement Sensor Based on a Position-Sensitive Detector.

The refractive index of seawater is one of the essential parameters in ocean observation, so it is necessary to achieve high-precision seawater refractive index measurements. In this paper, we propose a method for measuring the refractive index of seawater, based on a position-sensitive detector (PSD). A theoretical model was established to depict the correlation between laser spot displacement and refractive index change, utilizing a combination of a position-sensitive detector and laser beam deflection principles.

Real-Time Measurement and Uncertainty Evaluation of Optical Path Difference in Fiber Optic Interferometer Based on Auxiliary Interferometer.

Optical interferometers are the main elements of interferometric sensing and measurement systems. Measuring their optical path difference (OPD) in real time and evaluating the measurement uncertainty are key to optimizing system noise and ensuring system consistency. With the continuous sinusoidal wavelength modulation of the laser, real-time OPD measurement of the main interferometer is achieved through phase comparison of the main and auxiliary interferometers.

Spectrometer-Less Remote Sensing Image Classification Based on Gate-Tunable van der Waals Heterostructures.

Remote sensing technology, which conventionally employs spectrometers to capture hyperspectral images, allowing for the classification and unmixing based on the reflectance spectrum, has been extensively applied in diverse fields, including environmental monitoring, land resource management, and agriculture. However, miniaturization of remote sensing systems remains a challenge due to the complicated and dispersive optical components of spectrometers. Here, m-phase GaTeSe with wide-spectral photoresponses (250-1064 nm) and stack it with WSe are utilizes to construct a two-dimensional van der Waals heterojunction (2D-vdWH), enabling the design of a gate-tunable wide-spectral photodetector.

First-Principles Prediction of High and Low Resistance States in Ta/h-BN/Ta Atomristor.

Two-dimensional (2D) materials have received significant attention for their potential use in next-generation electronics, particularly in nonvolatile memory and neuromorphic computing. This is due to their simple metal-insulator-metal (MIM) sandwiched structure, excellent switching performance, high-density capability, and low power consumption. In this work, using comprehensive material simulations and device modeling, the thinnest monolayer hexagonal boron nitride (h-BN) atomristor is studied by using a MIM configuration with Ta electrodes.

Asymmetric magnetization switching and programmable complete Boolean logic enabled by long-range intralayer Dzyaloshinskii-Moriya interaction.

After decades of efforts, some fundamental physics for electrical switching of magnetization is still missing. Here, we report the discovery of the long-range intralayer Dzyaloshinskii-Moriya interaction (DMI) effect, which is the chiral coupling of orthogonal magnetic domains within the same magnetic layer via the mediation of an adjacent heavy metal layer. The effective magnetic field of the long-range intralayer DMI on the perpendicular magnetization is out-of-plane and varies with the interfacial DMI constant, the applied in-plane magnetic fields, and the magnetic anisotropy distribution.

Light-induced giant enhancement of nonreciprocal transport at KTaO-based interfaces.

Nonlinear transport is a unique functionality of noncentrosymmetric systems, which reflects profound physics, such as spin-orbit interaction, superconductivity and band geometry. However, it remains highly challenging to enhance the nonreciprocal transport for promising rectification devices. Here, we observe a light-induced giant enhancement of nonreciprocal transport at the superconducting and epitaxial CaZrO/KTaO (111) interfaces.

Effects of gamma-ray irradiation on material and electrical properties of AlN gate dielectric on 4H-SiC.

This article investigates the radiation effects on as-deposited and annealed AlN films on 4H-SiC substrates under gamma-rays. The AlN films are prepared using plasma-enhanced-atomic-layer-deposition on an n-type 4H-SiC substrate. The AlN/4H-SiC MIS structure is subjected to gamma-ray irradiation with total doses of 0, 300, and 600 krad(Si).