Sci Bull (Beijing)
August 2025
Mg-based thermoelectric materials are becoming ideal candidates for thermoelectric applications, owing to their eco-friendliness and abundant availability. To overcome the limitations of conventional experimental methods and accelerate the development of high-performance thermoelectric materials, this study leverages high-throughput computing and machine learning to perform a comprehensive and systematic evaluation of a vast array of Mg-based thermoelectric materials. Our findings highlight the pivotal role of thermal expansion in modulating the thermoelectric figure of merit (ZT) in Mg-based systems.
View Article and Find Full Text PDFPhys Chem Chem Phys
September 2025
The thermoelectric performance of the SrZnSbF compound is comprehensively evaluated using first-principles calculations and Boltzmann transport theory in present study. The electronic band structure shows that the SrZnSbF compound is semiconductor with a direct bandgap of 0.64 eV.
View Article and Find Full Text PDFLayered alkali metal (A)-alkaline earth metal (AE)-pnictogen (Pn = N, P, As, Sb, and Bi) compounds are promising candidates for thermoelectric applications due to their thermal stability and low thermal conductivity. This study systematically investigates and compares the anisotropic thermoelectric properties of the layered RbCaAs and RbCaSb compounds using density functional theory (DFT) and semiclassical Boltzmann transport theory. The results show that the rattling thermal damping effect from weak Rb-As/Sb bonds in RbCaX (X = As, Sb) compounds leads to low lattice thermal conductivity (∼3.
View Article and Find Full Text PDFThe stereochemical activity of lone-pair electrons critically influences lattice anharmonicity and thermal transport in crystals. However, traditional chemical substitution methods lack continuity and reversibility. We propose a strain-engineered bond angle distortion strategy in layered BiCuSeO to continuously modulate lone-pair electrons.
View Article and Find Full Text PDFThe layered BaCdPF compound with the ZrSiCuAs-type structure emerges as a promising thermoelectric (TE) material due to the excellent electronic transport properties under the -type doping circumstance. However, the fundamental mechanisms that regulate its thermal and electronic transport under strain engineering remain largely unexplored, hindering its practical applications. In current work, the crystal structure, thermal transport, and electronic transport properties of layered BaCdPF under strain engineering are systematically investigated by first-principles calculations in combination with a machine-learning interatomic potential approach.
View Article and Find Full Text PDFThe thermoelectric performance of XMgBi (X = Sr, Ba) materials is systematically investigated through integrated first-principles calculations, Boltzmann transport theory, and a two-channel model in this work. The temperature-activated static-dynamic transition in X (X = Sr, Ba) atoms vibrations induces a Janus effect of phonons, facilitating dual phonon transport regimes characterized by normal phonon and diffusons. The comparable ionicity between X (X = Sr, Ba) and [MgBi] layers disrupts the conventional Zintl-phase characteristics, leading to an atypically isotropic lattice thermal conductivity within their materials.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
March 2025
The high entropy alloy (HEA) possesses distinctive thermal stability and electronic characteristics, which exhibits substantial potential for diverse applications in electrocatalytic reactions. The nanosize of HEA also has a significant impact on its catalytic performance. However, accurately controlling nanosize and synthesizing small HEA nanomaterials remains a challenge, especially for the ultrasmall HEA nanoparticles.
View Article and Find Full Text PDFNanomaterials (Basel)
October 2024
Two-dimensional (2D) semiconductor components have excellent physical attributes, such as excellent mechanical ductility, high mobility, low dielectric constant, and tunable bandgap, which have attracted much attention to the fields of flexible devices, optoelectronic conversion, and microelectronic devices. Additionally, one-dimensional (1D) semiconductor materials with unique physical attributes, such as high surface area and mechanical potency, show great potential in many applications. However, isolated 1D and 2D materials often do not meet the demand for multifunctionality.
View Article and Find Full Text PDFThe electrochemical CO reduction reaction (eCORR) to multicarbon chemicals provides a promising avenue for storing renewable energy. Herein, we synthesized small Cu nanoparticles featuring enriched tiny grain boundaries (RGBs-Cu) through spatial confinement and electroreduction. spectroscopy and theoretical calculations demonstrate that small-sized Cu grain boundaries significantly enhance the adsorption of the *CO intermediate, owing to the presence of abundant low-coordinated and disordered atoms.
View Article and Find Full Text PDFPhys Chem Chem Phys
August 2023
This experiment was conducted to evaluate the growth performance, growth regulating factors, and liver morphology of chicks hatched from egg-laying breeding hens dietary supplemented with additives (β-carotene). Hy-line breeding hens were allocated into three groups with three replicates/group. The dietary treatments were as follows: basal diet as a control (Con), basal diet supplemented with 120 (βc-L) or 240 (βc-H) mg/kg of β-carotene diet.
View Article and Find Full Text PDFSatellite IoT networks (S-IoT-N), which have been a hot issue regarding the next generation of communication, are quite important for the coming era of digital twins and the metaverse because of their performance in sensing and monitoring anywhere, anytime, and anyway, in more dimensions. However, this will cause communication links to face greater traffic loads. Satellite internet networks (SIN) are considered the most possible evolution road, possessing characteristics of many satellites, such as low earth orbit (LEO), the Ku/Ka frequency, and a high data rate.
View Article and Find Full Text PDFJ Comput Assist Tomogr
October 2021
Purpose: The present study aims to comprehensively investigate the prognostic value of a radiomic nomogram that integrates contrast-enhanced computed tomography (CECT) radiomic signature and clinicopathological parameters in kidney renal clear cell carcinoma (KIRC).
Methods: A total of 136 and 78 KIRC patients from the training and validation cohorts were included in the retrospective study. The intraclass correlation coefficient (ICC) was used to assess reproducibility of radiomic feature extraction.
Background: The molecular biomarkers of breast ductal carcinoma in situ (DCIS) have important guiding significance for individualized precision treatment. This study was intended to explore the significance of radiomics based on ultrasound images to predict the expression of molecular biomarkers of mass type of DCIS.
Methods: 116 patients with mass type of DCIS were included in this retrospective study.
Nanotechnology
January 2021
Hysteresis-free and steep subthreshold swing (SS) are essential for low-power reliable electronics. Herein, MoS metal semiconductor field-effect transistors are fabricated with GeSe/MoS van der Waals Schottky junction as a local gate, in which the rectification behavior of the heterojunction offers the modulation of channel carriers. The trap-free gate interface enables the hysteresis-free characteristics of the transistors, and promises an ideal SS of 64 mV/dec at room temperature.
View Article and Find Full Text PDFHuan Jing Ke Xue
December 2020
Pollution characteristics and risk of heavy metals in atmospheric deposition in core urban areas of Chongqing were investigated for one year from December 2017 to November 2018.Six functional zones:suburb, education area, residential area, commercial area, transportation hub, and industrial-residential area in Chongqing were selected for monthly atmospheric deposition collection. Concentrations of Cd, Cr, Ni, and Pb were analyzed using AAS.
View Article and Find Full Text PDFBackground: Preoperative identification of hepatocellular carcinoma (HCC), combined hepatocellular-cholangiocarcinoma (cHCC-ICC), and intrahepatic cholangiocarcinoma (ICC) is essential for treatment decision making. We aimed to use ultrasound-based radiomics analysis to non-invasively distinguish histopathological subtypes of primary liver cancer (PLC) before surgery.
Methods: We retrospectively analyzed ultrasound images of 668 PLC patients, comprising 531 HCC patients, 48 cHCC-ICC patients, and 89 ICC patients.
Two-dimensional black phosphorus (BP) presents extensive exciting properties attributed to the high mobility and non-dangling bonds uniform surface with simultaneously obtained atomically ultrathin body and offer opportunities beyond the traditional materials. BP has thus emerged as a unique material in the post-silicon era for low-power electronics and photo-electronics. Tremendous efforts have been invested in fully developing the extreme potentiality of BP for future nanoelectronics.
View Article and Find Full Text PDFAll-inorganic halide perovskites (IHPs) have attracted enormous attention due to their intrinsically high optical absorption coefficient and superior ambient stabilities. However, the photosensitivity of IHP-based photodetectors is still restricted by their poor conductivities. Here, a facile design of hybrid phototransistors based on the CsPbBr thin film and indium tin oxide (ITO) nanowires (NWs) integrated into a InGaZnO channel in order to achieve both high photoresponsivity and fast response is reported.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
January 2018
Here, we present a platelet-facilitated photothermal tumor therapy (PLT-PTT) strategy, in which PLTs act as carriers for targeted delivery of photothermal agents to tumor tissues and enhance the PTT effect. Gold nanorods (AuNRs) were first loaded into PLTs by electroporation and the resulting AuNR-loaded PLTs (PLT-AuNRs) inherited long blood circulation and cancer targeting characteristics from PLTs and good photothermal property from AuNRs. Using a gene-knockout mouse model, we demonstrate that the administration of PLT-AuNRs and localizing laser irradiation could effectively inhibit the growth of head and neck squamous cell carcinoma (HNSCC).
View Article and Find Full Text PDFACS Appl Mater Interfaces
March 2017
Nanostructured Si as the high efficiency photoelectrode material is hard to keep stable in aqueous for water splitting. Capping a passivation layer on the surface of Si is an effective way of protecting from oxidation. However, it is still not clear in the different mechanisms and effects between insulating oxide materials and oxide semiconductor materials as passivation layers.
View Article and Find Full Text PDFJ Biomed Mater Res A
November 2016
In this paper, autofluorescent gelatin nanoparticles were synthesized as matrix metalloproteinase (MMP) responsive probes for cancer cell imaging. A modified two-step desolvation method was employed to generate these nanoparticles whose size was controllable and had stable autofluorescence. As glutaraldehyde was introduced as the crosslinking agent, the generation of Schiff base (CN) and double carbon bond (CC) between glutaraldehyde and gelatin endowed these gelatin nanoparticles distinct autofluorescence.
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