Materials Literature
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The electroreduction of p -nitrothiophenol (PNTP) on gold and silver electrodes has been investigated by means of density functional theory. A combination of thermodynamic calculations and surface Raman/IR spectral simulations has allowed us to reveal the reaction mechanism and reaction products of electroreduction of…
Lithium-ion batteries have proven to be extremely attractive candidates for applications in portable electronics, electric vehicles, and smart grid in terms of energy density, power density, and service life. Further performance optimization to satisfy ever-increasing demands on energy storage of such applications is…
Nanotechnology is a field of science that is nowadays developing in a dynamic way. It seems to offer almost endless opportunities of contribution to many areas of economy and human activity, in general. Thanks to nanotechnology, the so-called nanomaterials can be designed. They present structurally altered materials,…
Spectrally resolved photoluminescence is used to measure the band-to-band absorption coefficient α(BB)(ℏω) of organic-inorganic hybrid perovskite methylammonium lead iodide (CH₃NH₃PbI₃) films from 675 to 1400 nm. Unlike other methods used to extract the absorption coefficient, photoluminescence is only affected by ban…
Time-of-flight secondary ion mass spectrometry (ToF-SIMS) is a rapidly developing technique for the characterization of a wide range of materials. Recently, advances in instrumentation and sample preparation approaches have provided the ability to perform 3D molecular imaging experiments. Polyatomic ion beams, such as…
The influence of different edible coatings on total phenolic content, total anthocyanin and antioxidant capacity in highbush blueberry (Vaccinium corymbosum L. cv Berkeley and O'Neal) was investigated, mainly for industrial applications. Also titratable acidity, soluble solids content, firmness and weight loss of berr…
Why Bi(2)Sr(2)CaCu(2)Ox (Bi2212) allows high critical current density Jc in round wires rather than only in the anisotropic tape form demanded by all other high temperature superconductors is important for future magnet applications. Here we compare the local texture of state-of-the-art Bi2212 and Bi2223 ((Bi,Pb)(2)Sr…
The surface state of a Z(2) topological insulator connects with the conduction and valence band continua of the bulk, thereby bridging the band gap of the volume. We investigate this connection of the surface and bulk electronic structure for Sb(2)Te(3)(0001) by photoemission experiments and calculations. Upon crossin…
A bottom-up strategy based on graphene (GR) template is developed to synthesize free-standing TiO 2 nanosheets. A cross-link of GR nanosheets and a homogeneous coating of TiO 2 onto the self-assembled GR surfaces are simultaneously achieved by functionalizing the GR surface with benzyl alcohol. Followed by thermal tre…
Nanostructured germanium is a promising material for high-performance energy storage devices. However, synthesizing it in a cost-effective and simple manner on a large scale remains a significant challenge. Herein, we report a redox-transmetalation reaction-based route for the large-scale synthesis of mesoporous germa…
This paper reports the progress made at JET-ILW on integrating the requirements of the reference ITER baseline scenario with normalized confinement factor of 1, at a normalized pressure of 1.8 together with partially detached divertor whilst maintaining these conditions over many energy confinement times. The 2.5 MA h…
Developing an efficient redox material is crucial for thermochemical cycles that produce solar fuels (e.g., H 2 and CO), enabling a sustainable energy supply. In this study, the effects of varying the rare-earth content y in Ce 0.85- y Zr 0.15 RE y O 2–0.5 y with RE = Y, La, Sm and Gd on the fuel productivity and long…
We explore the shape-dependent light scattering properties of silicon (Si) nanoblocks and their physical origin. These high-refractive-index nanostructures are easily fabricated using planar fabrication technologies and support strong, leaky-mode resonances that enable light manipulation beyond the optical diffraction…
Lignin-based polyols were synthesized through microwave-assisted liquefaction under different microwave heating times (5–30 min). The liquefaction reactions were carried out using polyethylene glycol (PEG-400)/glycerol as liquefying solvents and 97 wt% sulfur acid as a catalyst at 140 °C. The polyols obtained were ana…
The effect of an environmentally friendly alcohol treatment on bulk heterojunction (BHJ) polymer solar cells using the low-bandgap copolymer based on thieno[3,4-b]thiophene-alt-benzodithiophene units and [6,6]-phenyl-C71-butyric acid methyl ester is systematically investigated. Different alcohols are tested, and besid…
Anisotropic expansion of a spherical M2L4 coordination capsule through the elongation of the ligand led to a new M2L'4 capsule. The expanded capsule provides an elliptical cavity encircled by polyaromatic frameworks with large openings and thereby can encapsulate elliptical fullerene C70 and monofunctionalized fullere…
As a potential photosensitizer for photodynamic therapy (PDT), pure titanium dioxide has the drawbacks of low tissue penetration and possible damage to skin due to the triggered UV light. To realize near-infrared (NIR) laser-induced multimodal imaging guided therapy, we constructed a multifunctional core–shell structu…
Atomically thick and flexible Pt-Cu alloy nanosheets are prepared and loaded with either Pd or Pt to produce sandwich structures or nanoring-like nanosheet structures, respectively. Core-shell alloy nanoparticles containing Rh, Ir, and Ru are also prepared. All of these structures exhibit superior specific and mass ac…
Crystallization processes are characterized by activated events and long timescales. These characteristics prevent standard molecular dynamics techniques from being efficiently used for the direct investigation of processes such as nucleation. This short review provides an overview on the use of metadynamics, a state-…
We discuss two-dimensional (2D) topological insulators (TIs) based on planar Bi/Sb honeycombs on a SiC(0001) substrate using first-principles computations. The Bi/Sb planar honeycombs on SiC(0001) are shown to support a nontrivial band gap as large as 0.56 eV, which harbors a Dirac cone lying within the band gap. Effe…