Revisiting the Catalytic Performance of Supported Metal Dimers for Oxygen Reduction Reaction via Magnetic Coupling from First Principles
Available online 19 January 2022
During the last few years, double-atom catalysts (DACs) embedded in graphene have been extensively studied for oxygen reduction reactions (ORR). However, the effect of the magnetic coupling between...
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High-dielectric-constant Nanograin BaTiO3-based Ceramics for Ultra-thin Layer Multilayer Ceramic Capacitors via Grain Grading Engineering
Available online 13 January 2022
Multilayer ceramic capacitors with layer thicknesses less than 0.5 μm are of great interest due to the increasing miniaturization of high-end consumer electronics. Thus, dielectric ceramics with average...
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A review of Ni based powder catalyst for urea oxidation in assisting water splitting reaction
Available online 10 January 2022
Water splitting has been regarded as a sustainable and environmentally-friendly technique to realize green hydrogen generation, while more energy is consumed due to the high overpotentials required...
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Magnetic Porous Carbon Composites for Rapid and Highly Efficient Degradation of Organic pollutants in Water
Available online 10 January 2022
Fenton-like process assisted decomposion of recalcitrant organic pollutants is an aussichtsreich strategy for coping ever-growing environmental problems. Metal-organic frameworks (MOFs) has been widely...
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Cobalt Phosphosulfide Nanoparticles Encapsulated into Heteroatom-Doped Carbon as Bifunctional Electrocatalyst for Zn-Air Battery
Available online 23 December 2021
The design of non‐noble electrocatalysts with low overpotential, high effectiveness, and good cycling stability for oxygen evolution reaction (OER) and oxygen reduction reaction (ORR) is highly desirable...
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Improved photocatalytic performance of gradient reduced TiO2 ceramics with aligned pore channels
Available online 21 December 2021
Modified titanium dioxide as a catalyst to improve photocatalytic performance has attracted extensive attention. Magnéli, a fascinating sub-stoichiometric titanium oxide phase that contains oxygen vacancies...
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Molecular-fingerprint machine-learning-assisted design and prediction for high-performance MOFs for the capture of NMHCs from air
Available online 20 December 2021
The capture of trace amounts of non-methane hydrocarbons (NMHCs) from air due to the toxicity of volatile organic compounds is a significant challenge. A total of 31,399 hydrophobic metal–organic frameworks...
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Revealing the interfacial electron modulation effect of CoFe alloys with CoCX encapsulated in N-doped CNTs for superior oxygen reduction
Available online 15 December 2021
Rational design and develop robust and durable electrocatalytic materials for oxygen reduction/evolution is essential for metal-air batteries. Herein, an effective approach is proposed to fabricate...
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Investigation of double perovskites Sr2SmNbO6 and X2CoNbO6 (X=Sr,Ba) with SCAN functional and plus U correction
Available online 14 December 2021
In this work the double perovskites Sr2SmNbO6, Sr2CoNbO6 and Ba2CoNbO6 are investigated with first principles computations based on the density functional theory and plus U treatment. Firstly, different...
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Preparation of double-layered Co-Ci/NiFeOOH co-catalyst for highly meliorated PEC performance in Water Splitting
Available online 11 December 2021
In this work, we prepared cobalt-carbonate (Co-Ci)/NiFeOOH double-layer co-catalyst on bismuth vanadate (BiVO4). Compared with the same type of electrode (Co-Pi/NiFeOOH/BiVO4 and Co-Sil/NiFeOOH/BiVO4),...
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Large magnetoelectric effect in BaFe12O19-(Ba0.85Ca0.15)(Zr0.1Ti0.9)O3 particulate composite
Available online 11 December 2021
Multiferroic composites with a large magnetoelectric response are gaining attractive interests for the design of magnetoelectric (ME) functional devices. In this work, the particulate ME composites...
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Recent Progress in Template-Assisted Synthesis of Porous Carbons for Supercapacitors
Available online 10 December 2021
Porous carbons (PCs) are one of the promising electrode materials for supercapacitors attributing to their low cost, superior electronic conductivity, easy availability, and tailored pore structures....
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Hollow Semiconductor Photocatalysts for Solar Energy Conversion
Available online 10 December 2021
The development of high-efficient photocatalysts plays an important role in the sustainable utilization of solar energy. Hollow nanostructured photocatalysts are vital for solar light utilization and...
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Surface carbon layer controllable Ni3Fe particles confined in hierarchical N-doped carbon framework boosting oxygen evolution reaction
Available online 10 December 2021
Developing high-efficiency and low-cost catalysts towards oxygen evolution reaction (OER) is extremely important for overall water splitting and rechargeable metal-air batteries. Herein we propose a...
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Progress and prospect of low-temperature zinc metal batteries
Available online 22 November 2021
The commercial application of aqueous zinc metal batteries in the field of large-scale energy storage is still suffered from their low-temperature operation, in which the electrochemical behaviors of...
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A machine learning accelerated distributed task management system (Malac-Distmas) and its application in high-throughput CALPHAD computations aiming at efficient alloy design
Available online 22 November 2021
High-throughput calculations/simulations are the prerequisite for the efficient design of high-performance materials. In this paper, a machine learning accelerated distributed task management system...
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Outstanding long-cycling lithium−sulfur batteries by core-shell structure of S@Pt composite with ultrahigh sulfur content
Available online 22 November 2021
Here we proposed a novel approach to greatly enhance the electrochemical performance of Li–S batteries by designing a composite electrode material composed of a core-shell structure of S@Pt composite...
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Effect of cyclic heat treatment on the microstructure and mechanical properties of laser aided additive manufacturing Ti-6Al-2Sn-4Zr-2Mo alloy
Available online 22 November 2021
Globular α phases can significantly improve the ductility of titanium alloys. Cyclic heat treatment (CHT) has been proved to be an effective way to induce the formation of globular α phases in α+β titanium...
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An In situ neutron diffraction study of phase formation during Ti-Si3N4 powder sintering
Available online 22 November 2021
This paper characterises and evaluates Si3N4/Ti composites during thermal treatment using an in situ neutron diffraction technique. The composites were developed using a conventional press and sinter...
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Stabilizing zinc anode via a chelation and desolvation electrolyte additive
Available online 22 November 2021
The uncontrollable dendrites growth and intricately water-induced side reactions occurred on zinc anode leads to safety issues and poor electrochemical kinetics, which largely limit the widespread application...
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Single-source-precursor synthesis and phase evolution of NbC-SiC-C ceramic nanocomposites with core-shell structured NbC@C and SiC@C nanoparticles
Available online 22 November 2021
In the present work, for the first time, novel NbC-SiC-C ceramic nanocomposite powders were successfully synthesized by a polymer-derived ceramic approach with the allylhydridopolycarbosilane (AHPCS)...
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Enhanced visible light photocatalytic efficiency of La-doped ZnO nanofibers via electrospinning-calcination technology
Available online 22 November 2021
A series of La-doped ZnO (La/ZnO) nanofibers were prepared by electrospinning-calcination technology and characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD), ultraviolet-visible...
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Nano-LaCoO3 Infiltrated BaZr0.8Y0.2O3-δ Electrodes for Steam Splitting in Protonic Ceramic Electrolysis Cells
Available online 22 November 2021
Protonic ceramic electrolysis cell (PCEC) is a promising technology for production of pure dry hydrogen due to the low operating temperature and high efficiency. One of the obstacles for commercialization...
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Tailorable microstructure and mechanical properties of selective laser melted TiB/Ti-6Al-4V composite by heat treatment
Available online 22 November 2021
This paper systematically investigated the effect of solution and artificial aging heat treatments on the microstructural evolution and mechanical properties of TiB/Ti-6Al-4V composites in situ fabricated...
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Self-water-absorption-type two-dimensional composite photocatalyst with high-efficiency water absorption and overall water-splitting performance
Available online 22 November 2021
Photocatalytic overall water splitting is an interesting research topic in the field of energy and outer space exploration. Here, we designed a P/MoS2 composite photocatalyst with self-water-absorption...
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