Materials Literature
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We investigate the scaling behavior in the statistical properties of Barkhausen noise in ferromagnetic films. We apply the statistical treatment usually employed for bulk materials in experimental Barkhausen noise time series measured with the traditional inductive technique in polycrystalline ferromagnetic films havi…
Hydrogenated graphene edges are assumed to be either armchair, zigzag, or a combination of the two. We show that the zigzag is not the most stable fully hydrogenated edge structure along the $\ensuremath{\langle}2\overline{1}\overline{1}0\ensuremath{\rangle}$ direction. Instead hydrogenated Klein and reconstructed Kle…
We have investigated the transport and optical properties along the c-axis of a-axis-oriented Sr2IrO4 epitaxial thin-films grown on LaSrGaO4 (100) substrates. The c-axis resistivity is approximately one order of magnitude larger than that of the ab-plane. Optical absorption spectra with E⊥c polarization show both Ir 5…
Systematic study of the optical and magnetic excitations of twelve MSi$_{12}$ and four MSi$_{10}$ transition metal encapsulating Si cages has been carried out by employing real time time-dependent density functional theory. Criteria for the choice of transition metals (M) are clusters' stability, synthesizability, and…
We have performed a systematic representation-theory-based search for the simplest structures allowing isotropic magnetoelectric coupling. We find 30 such structures, all sharing a common pattern of atomic displacements in the direction of atomic magnetic moments. We focus on one of these 30 canonical structures and f…
In general, there are two major factors affecting bandgaps in nanostructures: (i) the enhanced electron-electron interactions due to confinement and (ii) the modified self-energy of electrons due to the dielectric screening. While recent theoretical studies on graphene nanoribbons (GNRs) report on the first effect, th…
Electrochemical impedance spectra for battery electrodes are usually interpreted using models that assume isotropic active particles, having uniform current density and symmetric diffusivities. While this can be reasonable for amorphous or polycrystalline materials with randomly oriented grains, modern electrode mater…
We present an exciton/lattice model of the electronic dynamics of primary photoexcitations in a polymeric semiconductor heterojunction which includes both polymer pi-stacking, energetic disorder, and phonon relaxation. Results from our model are consistent with a wide range of recent experimental evidence that exciton…
We present a study of the structural phase transition and the mechanical and thermodynamic properties of UO${}_{2}$ by means of the local density approximation (LDA)+$U$ approach. A phase transition pressure of 40 GPa is obtained from theory at 0 K, and agrees well with the experimental value of 42 GPa. The pressure-i…
A remarkably high value of specific capacitance of 450 F/g has been observed through electrochemical measurements in the electrode made of multiferroic Bismuth Ferrite (BFO) in the form of nanorods protruding out. These BFO nanorods were developed on porous Anodised Alumina (AAO) templates using wet chemical technique…
The effects of silver nanoparticles (AgNPs) on terrestrial ecosystems need to be better understood and assessed. Cationic silver (Ag+) has well-documented toxicity against bacteria, but it is not clear what will be the effect of nanoscale Ag. In the present study, the potential effects of AgNPs were investigated in so…
The charge storage characteristics of a composite nanoarchitecture with a highly functional 3D morphology are reported. The electrodes are formed by the electropolymerization of aniline monomers into a nanometer‐thick polyaniline (PANI) film that conformally coats graphitic petals (GPs) grown by microwave plasma chemi…
Given the increasing environmental and energy issues, materials with the ability to repair themselves following damage are highly desirable because this self‐healing property can prolong the lifespan of materials and reduce replacement costs. Host–guest assemblies are a powerful approach to create supramolecular mater…
Looking in: The penetrating power of high-energy X-rays provides a means to monitor in situ and in real time the course of ball-milling reactions of organic pharmaceutical solids by detecting crystalline phases and assessing the evolution of their particle sizes. Upon switching from neat grinding to liquid-assisted gr…
Hydrogen peroxide (H2 O2 ) is a prominent member of the reactive oxygen species family and plays crucial roles in living organisms, thus detecting H2 O2 and elucidating its biological functions has become an important area of biological and biomedical research. Herein, a multifunctional fluorescent nanoprobe is demons…
Toroidal nanostructures are symmetrical ring-shaped structures with a central internal pore. Interestingly, in nature, many transmembrane proteins such as β-barrels and α-helical bundles have toroidal shapes. Because of this similarity, toroidal nanostructures can provide a template for the development of transmembran…
VO2 epitaxial film with large size has been prepared by oxide-molecular beam epitaxy method on Al2O3 (0001) substrate. The VO2 film shows a perfect crystal orientation, uniformity, and distinct metal-insulator phase transition (MIT) characteristics. It is observed that the MIT character is closely associated with the…
A twisted graphene bilayer exhibits a triangular Moir\'e pattern in the local stacking, that smoothly alternates between the three basic types $A{A}^{\ensuremath{'}}$, $A{B}^{\ensuremath{'}}$, and $B{A}^{\ensuremath{'}}$. Under an interlayer bias $U$, the latter two types develop a spectral gap, characterizsed by oppo…
Despite the excellent work function adjustability of conjugated polyelectrolytes (CPEs), which induce a vacuum level shift via the formation of permanent dipoles at the CPE/metal electrode interface, the exact mechanism of electron injection through the CPE electron transport layer (ETL) remains unclear. In particular…
Views Icon Views Article contents Figures & tables Video Audio Supplementary Data Peer Review Share Icon Share Twitter Facebook Reddit LinkedIn Tools Icon Tools Reprints and Permissions Cite Icon Cite Search Site Citation Xiangjun Liu, Gang Zhang, Qing-Xiang Pei, Yong-Wei Zhang; Phonon thermal conductivity of monolaye…