Materials Literature
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Abstract Photoelectrocatalytic reduction of CO2 into useful fuels is a promising approach in terms of climate challenge and energy crisis. In this paper, a novel SnO2‐based catalyst doped with bismuth (Bi) and sulfur (S) was synthesized via a simple hydrothermal method for photoelectrocatalytic reduction of CO2. The a…
Fat acquisition, processing, and grafting techniques are considered to be the main factors affecting the volume retention rate of fat grafting. Shuffling fat (SF) is obtained by refining macrofat (MF), both of which have been applied in autologous fat grafting. However, few studies have focused on comparison effects o…
The sequential ordering of different monomers within synthetic copolymers is remarkably difficult to control. Our understanding of the determinants of and variations within copolymer sequences, even in simple step-growth reactions, remains limited. In this work, we perform simulations on a generic model of irreversibl…
All reinforcements for polymer-matrix composites must be coated with a suitable material in the form of a thin film to improve compatibility and interfacial adhesion between the reinforcement and the polymer matrix. In this study, plasma nanotechnology was used to synthetize such functional nanocoatings using pure tet…
In polymer theory, computer-generated polymer configurations, by either Monte Carlo simulations or molecular dynamics simulations, help us to establish the fundamental understanding of the conformational properties of polymers. Here, we introduce a different method, exploiting the properties of a machine-learning algo…
Cutting performance is always an important direction in coal research, and it is related to different structural and working parameters. However, most references tend to judge the effectiveness of optimizations with a mean value method while not taking the randomness of load into consideration. Based on this, the pape…
In this work, we present that different structures lead to different excited state properties based on the investigations of the systems with symmetrical and unsymmetrical properties. Our work shows that the symmetrical and unsymmetrical compounds with a modified structure play key roles in regulating the excited stat…
A series of symmetrically bis-4-methoxybenzyl (4MB) N-substituted 1,4-diketopyrrolo[3,4-c]pyrrole (DPP) derivatives have been synthesized. The 4MB unit makes the DPP core soluble, and shows subtle modification of up to 0.2 eV in ground and excited states of the core when compared with related alkyl derivatives. Absorp…
In this work, two methods of high-resolution X-ray data refinement: multipole refinement (MM) and Hirshfeld atom refinement (HAR) - together with X-ray wavefunction refinement (XWR) - are applied to investigate the refinement of positions and anisotropic thermal motion of hydrogen atoms, experiment-based reconstructio…
Deeply understanding of the performance discrepancy of hole-transporting materials (HTMs) in perovskite solar cells (PSCs) with different configuration (inverted or direct) is important for designing efficient HTMs. Herein, three organic HTMs TZ1, TZ2, and TZ3 have been employed to fabricate the inverted PSCs. Optoele…
Objective: This present study aims to screen pharmaceutical cocrystal of Fenofibrate and coformers. Further the preparation and evaluation of fenofibrate-coformer cocrystal and In-Vitro drug release and Ex-Vivo Permeation study was done. Material and Methods: The coformers for Fenofibrate were screened using molecular…
Perovskite solar cells are one of the most promising photovoltaic technology, presenting the fastest power conversion efficiency (PCE) growth from 3.8 % to 24.2 % in just 10 years. However, there are still challenges hindering its commercialization such as the expensive back-contact made of gold. Carbon-based material…
Abstract We report a new magnesium metal–organic framework (MOF) (CPM‐107) with a special interaction with CO2. CPM‐107 contains Mg2‐acetate chains crosslinked into a 3D net by terephthalate. It has an anionic framework encapsulating ordered extra‐framework cations and solvent molecules. The desolvated form is closed…
Abstract Three-dimensional hollow spots have attracted significant interest for a wide variety of optical applications including optical trapping, simulated emission depletion microscopy, and optical tweezers. In this paper, an integrated superoscillatory metalens is proposed based on all-dielectric metasurfaces for i…
Volumetric muscle loss (VML) injuries are irrecoverable due to a significant loss of regenerative elements, persistent inflammation, extensive fibrosis, and functional impairment. When used in isolation, previous stem cell and biomaterial-based therapies have failed to regenerate skeletal muscle at clinically relevant…
The calculation of electron ionization energies is a key component for the simulation of photoelectron spectroscopy. CIS(D) is a perturbative doubles correction for the single excitation configuration interaction (CIS) method which provides a new approach for computing excitation energies. It is shown that by introduc…
Growing a monocrystalline layer of lead halide perovskites directly over substrates is necessary to completely harness their stellar properties in optoelectronic devices, as the single crystals of these materials are extremely brittle. We study the crystallization mechanism of perovskites by antisolvent vapor diffusio…
Abstract Future‐oriented directions in neural interface technologies point towards the development of multimodal devices that combine different functionalities such as neural stimulation, neurotransmitter sensing, and drug release within one platform. Conducting polymer hydrogels (CPHs) are suggested as materials for…
The solidification phenomenon is present in the casting process of energetic materials. In defence industry, trinitrotoluene (TNT) is used as main charge for high explosive ammunitions. The present study tackles the numerical simulation of the solidification process of TNT by means of a two-dimensional transient model…
Experimental studies have been carried out to establish the possibility of using vibratory machining technology through shock-wave transmission for oxide coating preparation on aluminum-alloyed machine components and also to discuss the technological possibilities of applying vibration mechanochemical solid lubricant…