相关论文: Preparation of Silver Nanoparticles Doped PVDF: Fo…
Luminescent multifunctional nanomaterials are important because of their potential impact on the development of key technologies such as smart luminescent sensors and solid-state lightings. To be technologically viable, the luminescent…
Transition-metal doping enables the introduction of spin functionality into halide double perovskites, while simultaneously modifying optical properties. Here, we combine controlled single-crystal growth, optical characterization,…
The magnetic properties of zig-zag graphene nanoflakes (ZGNF) are investigated within the framework of the dynamical mean-field theory. At half-filling and for realistic values of the local interaction, the ZGNF is in a fully compensated…
The ordered arrays of Ag nanowires and nanodots have been grown in ultra-high vacuum on the Si(5 5 7) surface containing regular steps of three bilayer height. Formation of Ag nanostructures have been studied by scanning tunneling…
Interconnect materials with ultralow dielectric constant, and good thermal and mechanical properties are crucial for the further miniaturization of electronic devices. Recently, it has been demonstrated that ultrathin amorphous boron…
Nanoparticle sintering remains a critical challenge in heterogeneous catalysis. In this work, we present a unified deep potential (DP) model for Cu nanoparticles on three Al$_2$O$_3$ surfaces ($\gamma$-Al$_2$O$_3$(100),…
We develop a high-dimensional neural network potential (NNP) to describe the structural and energetic properties of borophene deposited on silver. This NNP has the accuracy of DFT calculations while achieving computational speedups of…
We report a computational survey of chemical doping of silver(II) fluoride, an oxocuprate analog. We find that the ground-state solutions exhibit strong tendency for localization of defects and for phase separation. The additional…
Molecular functionalization of nanoparticles and metallic substrates can be used to tune their properties for specific applications. However, polycrystalline substrates and nanoparticles exhibit surface planes with distinct crystallographic…
Gold nanoparticles (GNPs) constitute a breakthrough in modern chemistry. The recent success in the synthesis and total structure determination of the precise-composition GNPs provides exciting opportunities for fundamental studies and…
In the case of polymer medical devices, the surface design plays a crucial role in contact with human tissue. The use of AgNPs as antibacterial agents is well known; however, their anchoring into the polymer surface can still be…
Only a few years have passed since discovery of polar nematics, and now they are becoming the most actively studied liquid crystal materials. Despite numerous breakthrough findings made recently, a theoretical systematization is still…
Polarization induced degenerate $n$-type doping with electron concentrations up to $\sim$10$^{20}$\,cm$^{-3}$ is achieved in graded Al$_{x}$Ga$_{1-x}$N layers ($x$: 0\%$\rightarrow$37\%) grown on unintentionally doped and on $n$-doped…
As a two-dimensional material with a hollow hexatomic ring structure, N\'eel-type anti-ferromagnetic (AFM) GdI3 can be used as a theoretical model to study the effect of electron doping. Based on first-principles calculations, we find that…
Fe-doped ZnO nanocrystals are successfully synthesized and structurally characterized by using x-ray diffraction and transmission electron microscopy. Magnetization measurements on the same system reveal a ferromagnetic to paramagnetic…
The orthorhombically distorted perovskite NaMnF$_{3}$ has been predicted to become ferroelectric if an $a=c$ distortion of the bulk $Pnma$ structure is imposed. In order to test this prediction, NaMnF$_{3}$ thin films were grown on…
In this work, the authors fabricated Cu2O porous nanostructured films (PNFs) on glass slide substrates by the newly developed positive bias deposition approach in a balanced magnetron sputtering (MS) system. It was found that the surface…
Phosphorous alloying of GaMnAs thin films has been used for the manipulation of the magnetic anisotropies in ferromagnetic Ga0.93Mn0.07As1-yPy layers. We have determined the anisotropy constants as a function of temperature for phosphorous…
The ability to design synthesis processes that are out of equilibrium has opened the possibility of creating nanomaterials with remarkable physico-chemical properties, choosing from a much richer palette of possible atomic architectures…
The ability to synthesize shape-controlled polymer particles will benefit a wide range of applications including targeted drug delivery and metamaterials with reconfigurable structures, but existing synthesis approaches are commonly…