Materials Literature
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Phase transitions between carbon allotropes are calculated using the generalized solid-state nudged elastic band method. We find a new reaction mechanism between graphite and diamond with nucleation characteristics that has a lower activation energy than the concerted mechanism. The calculated barrier from graphite to…
Dense packings of hard particles have important applications in many fields, including condensed matter physics, discrete geometry, and cell biology. In this paper, we employ a stochastic search implementation of the Torquato-Jiao adaptive-shrinking-cell (ASC) optimization scheme [Nature (London) 460, 876 (2009)] to f…
Pt-nanoparticles-laden graphene (GR) crumples were directly synthesized from a colloidal mixture of aqueous chloroplatinic acid (H2PtCl6) and graphene oxide (GO) sheets via aerosol spray pyrolysis (ASP). Effects of Pt content in the Pt/GR composite and temperature of heating zone on the particle morphology, diffractio…
Using calculations from first principles and the Landauer approach for phonon transport, we study the Kapitza resistance in selected multilayer graphene/dielectric heterojunctions (hexagonal BN and wurtzite SiC) and demonstrate (i) the resistance variability (∼50−700×10−10 m2K/W) induced by vertical coupling, dimensio…
ZnO thin films were grown on sapphire (0001) substrates by pulsed-laser deposition at 700 °C. 70 keV N+ ion implantation was performed under various temperatures and fluences in the range of 300−460 °C and 3.0×1014−1.2×1015 cm−2, respectively. Hall measurements indicate that the ZnO films implanted at 460 °C are p-typ…
In this paper chemical modification of a poly(vinylidene fluoride) surface by extreme ultraviolet (EUV) irradiation in a presence of ionized nitrogen was demonstrated for the first time. Nitrogen gas, injected into an interaction region, was ionized and excited by the EUV radiation from a laser-plasma source. The ioni…
Abstract The defect structures for Gd‐ and La‐doping on the A‐site of BaTiO3 with the creation of Ti vacancies are reported. The rare‐earth cations cluster together around the vacancy. The local relaxations caused by the defect cluster lead to distortion and tilting of nearby TiO6 octahedra and this is responsible for…
Resonance frequencies of small sessile liquid drops (1-20 μL) were estimated from the power spectra of their height fluctuations after subjecting them to white noise vibration. Various resonance modes could be identified with this method as a function of the mass of the drop. Studies with water drops on such supports…
The facile preparation of high-purity carbon nanofibers (CNFs) remains challenging due to the high complexity and low controllability in reaction. A novel approach using gas-induced formation of Cu crystals to control the growth of CNFs is developed in this study. By adjusting the atmospheric composition, controllable…
Polystyrene (PS) that has been exposed to ultraviolet light (UV) undergoes partial dehydrogenation of the alkane polymer backbone which increases its surface energy. Exploiting this photochemistry, we exposed polystyrene films to UV light using a photomask to induce a patterned photochemical reaction producing regions…
The anti-inflammatory drug, aspirin, was loaded into three zeolite HY hosts with silica to alumina ratios (SiO 2 /Al 2 O 3 ) of 5, 30, and 60. The aspirin loading in the zeolite HY samples as measured by thermogravimetric analysis decreased from 106, to 78, to 69 mg aspirin/g zeolite with increasing SiO 2 /Al 2 O 3 .…
Structural models of sodium borosilicate glasses were prepared by means of molecular dynamics (MD) technique using pair potentials over a wide compositional range. The local structures around B, O, and Si obtained from the structural models were compared with experimental (11)B NMR, (17)O NMR, and (29)Si NMR data. It…
We studied chemical doping of trans- and cis-azobenzene on graphene by Raman spectroscopy. It was found that the molecule induces hole-doping in graphene through charge transfer. Moreover, the doping level in graphene can be reversibly modulated by a photocontrolled molecular conformation change. As trans-azobenzene i…
The production and inevitable release of engineered nanoparticles requires rapid approaches to screen for their potential effects in environmental organisms, including bacteria. In bacteria, engineered nanoparticle effects can initiate at the cell membrane, for example by structurally damaging membranes or inhibiting…
Abstract Electrochemical reactions in films of conducting polymers involve reactive chains, exchanging ions and solvent with the electrolyte under current flow. The reaction induces structural changes: conformational movements in chains and swelling, shrinking, compaction, and relaxation processes in the reactive dens…
A quasiperiodic intermediate-valence (IV) system is realized in an icosahedral Au-Al-Yb quasicrystal. X-ray absorption spectroscopy near the Yb ${L}_{3}$ edge indicates that quasiperiodically arranged Yb ions assume a mean valence of 2.61, between a divalent state ($4{f}^{14}$, $J=0$) and a trivalent one ($4{f}^{13}$,…
We present a comprehensive theoretical study of finite-size effects in the relaxation dynamics of glass-forming liquids. Our analysis is motivated by recent theoretical progress regarding the understanding of relevant correlation length scales in liquids approaching the glass transition. We obtain predictions both fro…
Recently, the construction of multi-compartment polymeric capsules has received considerable attention; for the development of next generation hollow structure carriers, multi-compartmentalization is a key requirement. In this review we give a brief overview with regard to the different preparation methods of multi-co…
In this article, the plasma surface modification effects on the chemical, mechanical, and biological properties of electrospun poly (ε-caprolactone) (PCL) random nanofiber meshes (NFMs) were investigated by adjusting plasma chemistry, that is, using glow discharges of N(2) +H(2), NH(3) +O(2), and Ar+O(2) gas mixtures.…
Abstract Femtosecond laser fabricated surface nanograting structures, referred to as ripples, are proposed as efficient substrates for surface‐enhanced Raman scattering (SERS). Ripple substrates show order of magnitude higher sensitivity and superior reproducibility as compared to lithographically made commercial SERS…