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DDC: 600 × Type: Text × Subject: high-entropy materials ×

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    High‐Entropy Sulfides as Electrode Materials for Li‐Ion Batteries
    (Weinheim : Wiley-VCH, 2022) Lin, Ling; Wang, Kai; Sarkar, Abhishek; Njel, Christian; Karkera, Guruprakash; Wang, Qingsong; Azmi, Raheleh; Fichtner, Maximilian; Hahn, Horst; Schweidler, Simon; Breitung, Ben
    High-entropy sulfides (HESs) containing 5 equiatomic transition metals (M), with different M:S ratios, are prepared by a facile one-step mechanochemical approach. Two new types of single-phase HESs with pyrite (Pa-3) and orthorhombic (Pnma) structures are obtained and demonstrate a homogeneously mixed solid solution. The straightforward synthesis method can easily tune the desired metal to sulfur ratio for HESs with different stoichiometries, by utilizing the respective metal sulfides, even pure metals, and sulfur as precursor chemicals. The structural details and solid solution nature of HESs are studied by X-ray diffraction, transmission electron microscopy, energy-dispersive X-ray spectroscopy, electron energy loss spectroscopy, X-ray photoelectron spectroscopy, inductively coupled plasma optical emission spectroscopy, and Mössbauer spectroscopy. Since transition metal sulfides are a very versatile material class, here the application of HESs is presented as electrode materials for reversible electrochemical energy storage, in which the HESs show high specific capacities and excellent rate capabilities in secondary Li-ion batteries.
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    High-Entropy Energy Materials in the Age of Big Data: A Critical Guide to Next-Generation Synthesis and Applications
    (Weinheim : Wiley-VCH, 2021) Wang, Qingsong; Velasco, Leonardo; Breitung, Ben; Presser, Volker
    High-entropy materials (HEMs) with promising energy storage and conversion properties have recently attracted worldwide increasing research interest. Nevertheless, most research on the synthesis of HEMs focuses on a “trial and error” method without any guidance, which is very laborious and time-consuming. This review aims to provide an instructive approach to searching and developing new high-entropy energy materials in a much more efficient way. Toward materials design for future technologies, a fundamental understanding of the process/structure/property/performance linkage on an atomistic level will promote prescreening and selection of material candidates. With the help of computational material science, in which the fast development of computational capabilities that have a rapidly growing impact on new materials design, this fundamental understanding can be approached. Furthermore, high-throughput experimental methods, enabled by the advances in instrumentation and electronics, will accelerate the production of large quantities of results and stimulate the identification of the target products, adding knowledge in computational design. This review shows that combining computational preselection and verification by high-throughput can be an efficient approach to unveil the complexities of HEMs and design novel HEMs with enhanced properties for energy-related applications.