Materials Literature
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A novel three-dimensional microspheres Ag/p-AgBr/n-BiVO 4 plasmonic p–n heterojunction photocatalyst was successfully obtained for the first time; the photocatalytic performance of the as-prepared sample was systematically examined via the photocatalytic reduction of Cr 6+ and oxidation of bisphenol S under visible-li…
High Resolution Image Download MS PowerPoint Slide Electrode–electrolyte microscopic interfacial studies are of great interest for the design and development of functional materials for energy storage and catalysis applications. First-principles-based simulation methods are used here to understand the structure, stabi…
In this work, we present an integrated approach to synthesize process intensification systems with guaranteed flexibility and safety performances. The synthesis of intensified equipment/flowsheets is addressed through the Generalized Modular Representation Framework (GMF), which utilizes an aggregation of multifunctio…
The potential energy surface (PES) of a molecular system constitutes a cornerstone for nearly every theoretical study of spectroscopy and dynamics. We present here AUTOSURF, our freely distributed code for the automated construction of PESs. This first release treats van der Waals systems composed of two rigid fragmen…
Abstract Electronics offering modularity in design and function, i.e., modular electronics have enabled a wide gamut of applications, such as promotion of creativity, self‐assembling robots, and customizable consumer electronics. In particular, there is recently a fertile application domain within the rapidly growing…
When DFT has been applied to study mechanisms of redox processes a common procedure has been to study the results for many different functionals. For redox reactions involving the first row transition metals, this approach has given very different results for different functionals. The conclusion has been that DFT can…
Metal nitride materials are considered as promising candidates for next-generation lithium-ion secondary battery anode materials owing to their high electrical conductivity and attractive theoretical capacity.
Electron transport layer (ETL)‐free perovskite solar cells (PSCs) are getting much more attention with their simpler structure and potentially low cost as well as higher stability. However, the elimination of ETL (such as TiO2) with intrinsically deep valance band level leads to the absence of the hole blocking mechan…
The breakup of low-viscosity droplets like water is a ubiquitous and rich phenomenon. Theory predicts that in the inviscid limit one observes a finite-time singularity, giving rise to a universal power law, with a prefactor that is universal for a given density and surface tension. This universality has been proposed…
Perovskite solar cells assembled with titanium dioxide electron transport layer exhibited brilliant photovoltaic properties due to titanium dioxide having a high electron mobility, appropriate energy level alignment and easy fabrication procedure.
Transition metals embedded in nitrogen-doped carbon matrices (denoted as M-N-C) are the leading platinum group metal (PGM)-free electrocatalysts for the oxygen reduction reaction (ORR) in acid, and are the most promising candidates for replacing platinum in practical devices such as fuel cells. Two of the long-standin…
Chemical fixation of the greenhouse gas carbon dioxide with diepoxides followed by melt-phase polyaddition of the resulting difunctional cyclic carbonates with 1,12-diaminododecane (DDA) yields semicrystalline polyhydroxurethane (PHU) thermoplastics. Also, 100% biobased semicrystalline PHU thermoplastics are feasible.…
The excited-state dynamics of the photostable luminescent organic radical (3,5-dichloro-4-pyridyl)bis(2,4,6-trichlorophenyl)methyl (PyBTM) doped in a host crystal was investigated by using optically detected magnetic resonance (ODMR) and time-resolved emission spectroscopies. In the radical system, the unpaired electr…
The developments of sustainable elastomers from natural biomass to compete fossil fuel-derived elastomers are gaining increasing attention during recent years. In this work, elastomer derived from soybean oil and lignin was developed via a metal-free thermal azide–alkyne cycloaddition reaction (TAAC). Azide-containing…
Biochar from crop residues such as corncobs can be used for soil amendment, but its negative effects have also been reported. This study aims to evaluate the phytotoxic effects of different biochar treatments and application rates on cress (Lepidium sativum). Corncob biochar was produced via slow pyrolysis without usi…
Abstract A series of lead‐free double perovskite nanocrystals (NCs) Cs2AgSb1−yBiyX6 (X: Br, Cl; 0≤y≤1) is synthesized. In particular, the Cs2AgSbBr6 NCs is a new double perovskite material that has not been reported for the bulk form. Mixed Ag–Sb/Bi NCs exhibit enhanced stability in colloidal solution compared to Ag–B…
Single-particle analysis by electron microscopy is a well established technique for analyzing the three-dimensional structures of biological macromolecules. Besides its ability to produce high-resolution structures, it also provides insights into the dynamic behavior of the structures by elucidating their conformation…
Abstract Metal–organic polyhedra (MOPs) are promising candidates for many potential applications; however, their use as photocatalysts for hydrogen production has yet to be developed. Herein, the photocatalytic performance of a water‐stable Zr‐MOP, ZrT‐1‐NH 2 , was evaluated, for the first time, through photocatalytic…
g-C3N4 crystalline/amorphous lateral-like homostructures were prepared using crystalline g-C3N4 nanosheets as seeds via sequential edge-epitaxy growth. The homojunction effectively separates photogenerated carriers, resulting in high photo- and electro-catalytic activities.
A facile 3% hydrogen peroxide-assisted ultrasonic synthetic strategy is demonstrated to successfully synthesize fluorescent boron carbon oxynitride quantum dots (BCNO QDs). The obtained BCNO QDs exhibit intense blue fluorescence and favorable biocompatibility and water solubility. The quantum yield of the BCNO QDs is…