Materials Literature
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Despite a recent flurry of experimental and simulation studies, an accurate estimate of the interaction strength of water molecules with hexagonal boron nitride is lacking. Here, we report quantum Monte Carlo results for the adsorption of a water monomer on a periodic hexagonal boron nitride sheet, which yield a water…
Cooperative binding affects many processes in biology, but it is commonly addressed only in equilibrium. In this work we explore dynamical cooperativity in driven systems, where the cooperation occurs because some of the bonds change the dynamical response of the system to a regime where the other bonds become active.…
We present results of lattice dynamics calculations of Poisson's ratio (PR) for solid hydrogen and rare gas solids (He, Ne, Ar, Kr and Xe) under pressure. Using two complementary approaches - the semi-empirical many-body calculations and the first-principle density-functional theory calculations we found three differe…
In Fe pnictide (Pn) superconducting materials, neither Mn- nor Cr- doping to the Fe site induces superconductivity, even though hole carriers are generated. This is in strong contrast with the superconductivity appearing when holes are introduced by alkali metal substitution on the insulating blocking layers. We inves…
Polyethers-polymers with the structural element (R'-O-R)n in their backbone--are an old class of polymers which were already used at the time of the ancient Egyptians. However, still today these materials are highly important with applications in all areas of our life, reaching from the automotive and paper industry t…
We study the second-order Raman process of mono- and few-layer ${\mathrm{MoTe}}_{2}$, by combining ab initio density functional perturbation calculations with experimental Raman spectroscopy using 532, 633, and 785 nm excitation lasers. The calculated electronic band structure and the density of states show that the r…
We derive the Gibbs energy including the anharmonic contribution due to phonon-phonon interactions for an extensive set of unary fcc metals (Al, Ag, Au, Cu, Ir, Ni, Pb, Pd, Pt, Rh) by combining density-functional-theory (DFT) calculations with efficient statistical sampling approaches. We show that the anharmonicity o…
Metallic nanowires usually exhibit ultrahigh strength but low tensile ductility owing to their limited strain hardening capability. Here we study the unique strain hardening behavior of the five-fold twinned Ag nanowires by nanomechanical testing and atomistic modeling. In situ tensile tests within a scanning electron…
To enhance the accumulation and penetration of nanomedicines in tumor tissue, we developed and evaluated the biological properties of matrix metalloproteinase 2 (MMP-2)-responsive N-(2-hydroxypropyl)methacrylamide (HPMA) copolymer drugs and tumor-penetrating peptide conjugates (P-DOX-PLGLAG-iRGD). Two different spacer…
The tunable optoelectronic properties of stacked two-dimensional (2D) crystal monolayers are determined by their stacking orientation, order, and atomic registry. Atomic-resolution Z-contrast scanning transmission electron microscopy (AR-Z-STEM) and electron energy loss spectroscopy (EELS) can be used to determine the…
Highly fluorescent nitrogen and phosphorus-doped carbon dots with a quantum yield 59% have been successfully synthesized from citric acid and di-ammonium hydrogen phosphate by single step hydrothermal method. The synthesized carbon dots have high solubility as well as stability in aqueous medium. The as-obtained carbo…
Mechanochromic organic molecules (MOMs) that exhibit a large difference of fluorescence wavelength between two states have important potential applications, but few such compounds are known. Here, we report a new MOM, cis-ABPX01(0), which shows switchable near-IR and blue fluorescence responses. Detailed spectrophotom…
This is a comprehensive Raman scattering study of electrochemically gated graphene transistors. A robust, highly accurate determination of the Fermi level, electron-phonon coupling, and defect scattering rates is achieved. Fermi energies as high as 700 meV above the Dirac point were achieved in ambient conditions, wit…
Some of the best thermoelectrics are complex materials with rattling guests inside oversized atomic cages. Understanding the chemical and structural origins of the rattling behavior is essential to the design of thermoelectric materials. In this work, a clear connection is established between the local bonding asymmet…
Successful research strategies to enhance the dimensionless figure of merit zT above 2 rely on either bulk nanomaterials or on single crystals. A new physical mechanism of nanoscale mosaicity is shown that goes beyond the approaches in single crystals or conventional nanomaterials. A zT value of 2.1 at 1000 K in bulk…
The focusing performance of a 40 nm-thick metasurface lens is experimentally demonstrated. The longitudinal multifoci flat metasurface lens is illuminated with a linearly polarized light (|LP>) beam at normal incidence. Three focal planes with circular polarization states (|L> and |R>) are observed. The theoretical in…
Mechanofluorochromic or piezochromic fluorescence chemistry involves the switching and tuning of the luminescent properties of solid-state materials induced by exogenous forces, such as grinding, shearing, compression, tension, and so forth. Up until now, most reported mechanochromic systems, including liquid crystals…
Selective dissolution is a common corrosion process in dealloying in which an alloy is immersed in acid to remove the active element, leaving behind an inert constituent. We introduce this technique into the treatment of oxide catalysts. A three-dimensionally ordered macroporous LaMnO3 perovskite has been prepared and…
With tremendous increase in development of nanotechnology, there is a developing enthusiasm toward the application of nanoparticles in diverse areas. Carbon nanotubes, fullerenes, quantum dots, dendrimers, iron oxide, silica, and gold and silver nanoparticles are frequently used in different applications such as drug…
Ultrathin printable graphene supercapacitors are demonstrated, based on solution-processed electrochemically exfoliated graphene hybrid films on an ultrathin poly(ethylene terephthalate) substrate, exhibiting an unprecedented volumetric capacitance of 348 F cm(-3) , an ultrahigh scan rate of 2000 V s(-1) , and AC line…