Atomistic Study of the Configurational Entropy and the Fragility of Supercooled Liquid GeTe
Sign Up to like & getrecommendations! Published in 2024 at "Advanced Functional Materials"
DOI: 10.1002/adfm.202314264
Abstract: Phase‐change materials (PCMs) are an important family of alloys employed in non‐volatile memories and neuromorphic devices. These devices exploit the ability of PCMs to undergo rapid transitions between amorphous and crystalline phases at moderately high… read more here.
Keywords: temperature; liquid gete; configurational entropy; fragility ... See more keywords
Understanding the Configurational Entropy Evolution in Metal‐Phosphorus Solid Solution for Highly Reversible Li‐Ion Batteries
Sign Up to like & getrecommendations! Published in 2023 at "Advanced Science"
DOI: 10.1002/advs.202300271
Abstract: The high‐entropy materials (HEM) have attracted increasing attention in catalysis and energy storage due to their large configurational entropy and multiunique properties. However, it is failed in alloying‐type anode due to their Li‐inactive transition‐metal compositions.… read more here.
Keywords: solid solution; entropy; configurational entropy; metal phosphorus ... See more keywords
Ultrahigh Degree of Cationic Disorder, Configurational Entropy in New Type of High-Entropy Pseudobrookite Phase.
Sign Up to like & getrecommendations! Published in 2024 at "Small"
DOI: 10.1002/smll.202310615
Abstract: High-entropy ceramics exhibit various excellent properties owing to their high configurational entropy, which is caused by multi-principal elements sharing one lattice site. The configurational entropy will further increase significantly if multi-principal elements randomly share two… read more here.
Keywords: entropy pseudobrookite; pseudobrookite phase; configurational entropy; degree cationic ... See more keywords
Entropy-stabilized oxides with medium configurational entropy
Sign Up to like & getrecommendations! Published in 2020 at "Ceramics International"
DOI: 10.1016/j.ceramint.2020.12.143
Abstract: Abstract Medium-entropy oxides, ((Mg1/3Co1/3Ni1/3)1-xZnx)O with x between 0.292 to 0.388, were synthesized by sintering the corresponding powder mixtures and proven to be entropy stabilized. The enthalpy of mixing of these oxides was estimated from their… read more here.
Keywords: entropy; oxides medium; entropy stabilized; stabilized oxides ... See more keywords
Thermodynamic universality of configurational entropy in glass-forming liquids
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Alloys and Compounds"
DOI: 10.1016/j.jallcom.2016.09.124
Abstract: Abstract Glass is a liquid-like disordered material but behaves mechanically like a solid. Ubiquitous in nature and important in technology, the vitreous state manifests its presence from window glass, polymers, to optical fiber, and almost… read more here.
Keywords: glass forming; thermodynamic universality; universality configurational; glass ... See more keywords
Multibasin Quasi-Harmonic Approach for the Calculation of the Configurational Entropy of Small Molecules in Solution.
Sign Up to like & getrecommendations! Published in 2021 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.0c00978
Abstract: Entropy is a key thermodynamic property governing most biomolecular processes, including binding. Nonetheless, quantification of the configurational entropy of a single molecule in solution remains a grand challenge. Here, we present an original approach for… read more here.
Keywords: quasi harmonic; entropy; small molecules; solution ... See more keywords
Prediction of Protein Configurational Entropy (Popcoen).
Sign Up to like & getrecommendations! Published in 2018 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.7b01079
Abstract: A knowledge-based method for configurational entropy prediction of proteins is presented; this methodology is extremely fast, compared to previous approaches, because it does not involve any type of configurational sampling. Instead, the configurational entropy of… read more here.
Keywords: entropy; prediction protein; protein configurational; popcoen prediction ... See more keywords
Configurational Entropy-Enabled Thermostability of Cell Membranes in Extremophiles: From Molecular Mechanism to Bioinspired Design.
Sign Up to like & getrecommendations! Published in 2023 at "Nano letters"
DOI: 10.1021/acs.nanolett.2c04939
Abstract: Understanding physicochemical interactions and mechanisms related to the cell membranes of lives under extreme conditions is of essential importance but remains scarcely explored. Here, using a combination of computer simulations and experiments, we demonstrate that… read more here.
Keywords: cell membranes; configurational entropy; molecular mechanism;
Entropy Engineering and Tunable Magnetic Order in the Spinel High-Entropy Oxide.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.2c06768
Abstract: Spinel oxides are an ideal setting to explore the interplay between configurational entropy, site selectivity, and magnetism in high-entropy oxides (HEOs). In this work, we characterize the magnetic properties of the spinel (Cr, Mn, Fe,… read more here.
Keywords: entropy engineering; order; entropy; configurational entropy ... See more keywords
Entropy-driven strategy stabilizes photoactive halide perovskites for inverted solar cells
Sign Up to like & getrecommendations! Published in 2025 at "Nature Communications"
DOI: 10.1038/s41467-025-64728-w
Abstract: The phase instability of perovskite materials remains a significant obstacle to their practical application in photovoltaics. Herein, we present a high-configurational-entropy strategy based on formamidinium ion (FA+) to fabricate the photoactive phase-stable halide perovskites through… read more here.
Keywords: halide perovskites; configurational entropy; driven strategy; entropy driven ... See more keywords
In situ Raman study on the impact of configurational entropy on catalytic activity for industrial water oxidation
Sign Up to like & getrecommendations! Published in 2025 at "Journal of Materials Chemistry A"
DOI: 10.1039/d4ta07090a
Abstract: Modulating the configurational entropy of materials is an effective strategy to develop efficient and robust electrocatalysts for the oxygen evolution reaction (OER) in clean energy technologies. However, the impact of... read more here.
Keywords: configurational entropy; situ raman; study impact; raman study ... See more keywords