Materials Literature
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Graphitic carbon nitride (g-C3N4), a metal-free and visible light responsive photocatalyst, has garnered much attention due to its wide range of applications. In order to elucidate the role of dimensionality on the properties of photo-generated charge carriers, we apply nonadiabatic (NA) molecular dynamics combined wi…
Hydrocalumite is a layered double hydroxide (LDH) that is finding increased application in numerous scientific fields. Typically, this material is produced through environmentally polluting methods such as co-precipitation, sol-gel synthesis and urea-hydrolysis. Here, the hydrothermal green (environmentally friendly)…
Metal nanofibers with excellent electrical conductivity and superior mechanical flexibility have great potentials for fabrication of lightweight, flexible, and high-performance electromagnetic interference (EMI) shielding architectures. The weak interactions and large contact resistance among the wires, however, hinde…
Pd (metal) is of key value as a heterogeneous hydrogenation catalyst for its high activity and stability. It, however, fails in selective acetylene hydrogenation: at high H 2 pressures and 100% conversion, the dominant product is ethane, not the desirable ethene. Despite decades’ efforts, even the structure of the cat…
Open AccessCCS ChemistryRESEARCH ARTICLE1 Mar 2021Proton-Conducting Polyoxometalates as Redox Electrolytes Synergistically Boosting the Performance of Self-Healing Solid-State Supercapacitors with Polyaniline Dongming Cheng, Bo Li, Sai Sun, Li-Jie Zhu, Ying Li, Xing-Long Wu and Hong-Ying Zang Dongming Cheng Key Lab of…
Abstract Predicting the energetics of chemical transformations requires localizing stationary points on a potential energy surface. While educts and products of a chemical reaction may be known, transition state optimization is challenging as good guesses may be unavailable. Extending stationary point searches to the…
Epoxy/anhydride-cured thermosets are widely used in aerospace and wind energy structures. Recycling the enormous amounts of epoxy thermoset waste remains a global challenge. Vitrimerization, a practical, low-cost, eco-friendly, and scalable method, was developed for closed-loop recycling of the cross-linked epoxy by c…
Abstract There has been a massive growth in the study of transition metal dichalcogenides (TMDs) over the past decade, based upon their interesting and unusual electronic, optical and mechanical properties, such as tuneable and strain-dependent bandgaps. Tungsten disulphide (WS2), as a typical example of TMDs, has con…
We construct a numerical scheme based on the scalar auxiliary variable (SAV) approach in time and the MAC discretization in space for the Cahn–Hilliard–Navier–Stokes phase- field model, prove its energy stability, and carry out error analysis for the corresponding Cahn–Hilliard–Stokes model only. The scheme is linear,…
Copper manganese composite (hopcalite) catalyst has been widely explored for low-temperature CO oxidation reactions. However, the previous reports on the stabilization of such composite catalysts have shown that they deactivated severely under moist conditions. Herein, we developed an α-MnO 2 nanorod-supported copper…
High Resolution Image Download MS PowerPoint Slide Due to increased populations, there is an increased demand for food; thus, battery electrode materials created from waste biomass provide an attractive opportunity. Unfortunately, such batteries rarely sustain capacities comparable to current state-of-the-art technolo…
Abstract Solid oxide fuel cells (SOFCs) as one of the clean electrochemical energy conversion devices have acquired increasing attention recently due to the high efficiency, low emission, and excellent fuel flexibility. Nevertheless, the practical application of SOFCs is hindered by poor stability and high cost. Thus,…
Mesoporous silica nanoparticles (MSNs) carrying gatekeepers that are stimuli-responsive are widely investigated for the controlled delivery of drug at target sites. In this study, thioketal (TK) functionalized methoxy poly(ethylene glycol) (mPEG-TK) as ROS-responsive gatekeeper is used to modify MSNs and leads to a re…
electrons per photon. These photodetectors rely on a highly absorbing layer in close proximity to graphene, which induces a shift of the graphene chemical potential upon absorption, hence modifying its channel resistance. However, due to the semimetallic nature of graphene, the readout requires dark currents of hundre…
α-Ga2O3 is a metastable phase of gallium oxide (Ga2O3) and is important for application in solar-blind region optoelectronic devices. High-quality α-Ga2O3 thin films can be grown by mist chemical vapor deposition (mist-CVD). We systematically investigate the growth mechanism of α-Ga2O3 by mist-CVD using acetylacetonat…
We present a comprehensive investigation of mechanical properties of supramolecular polymer networks with rationally developed multistrength hydrogen-bonding interactions. Self-healing poly(dimethylsiloxane) (PDMS)-based elastomers with varying elasticity, fracture toughness, and the ability to dissipate strain energy…
Metal-doped (Mn, Cu, Ni, and Fe) cobalt oxides were prepared by a coprecipitation method and were used as catalysts for the total oxidation of toluene and propane. The metal-doped catalysts displayed the same cubic spinel Co3O4 structure as the pure cobalt oxide did; the variation of cell parameter demonstrated the in…
We introduce the deep post Hartree-Fock (DeePHF) method, a machine learning-based scheme for constructing accurate and transferable models for the ground-state energy of electronic structure problems. DeePHF predicts the energy difference between results of highly accurate models such as the coupled cluster method and…
This paper aims at reviewing the works published in the last five years (2016-2020) on polymer nanocomposites based on epoxy resins. The different nanofillers successfully added to epoxies to enhance some of their characteristics, in relation to the nature and the feature of each nanofiller, are illustrated. The organ…
Ligand-induced chirality in asymmetric CdSe/CdS core–shell nanocrystals (NCs) has been extensively applied in chiral biosensors, regioselective syntheses and assemblies, circularly polarized luminescence (CPL), and chiroptic-based devices due to their excellent physiochemical properties, such as the tunable quantum co…