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High-entropy alloys in electrocatalysis: from fundamentals to applications
High-entropy alloys (HEAs) comprising five or more elements in near-equiatomic
proportions have attracted ever increasing attention for their distinctive properties, such as …
proportions have attracted ever increasing attention for their distinctive properties, such as …
Review of progress in calculation and simulation of high-temperature oxidation
High-temperature oxidation can precipitate chemical and mechanical degradations in
materials, potentially leading to catastrophic failures. Thus, understanding the mechanisms …
materials, potentially leading to catastrophic failures. Thus, understanding the mechanisms …
High‐entropy catalyst—a novel platform for electrochemical water splitting
Y Zhai, X Ren, B Wang, S Liu - Advanced Functional Materials, 2022 - Wiley Online Library
High‐entropy materials (HEMs) have been in the spotlight as emerging catalysts for
electrochemical water splitting. In particular, HEM catalysts feature multi‐element active sites …
electrochemical water splitting. In particular, HEM catalysts feature multi‐element active sites …
Stabilization, characterization, and electrochemical applications of high‐entropy oxides: critical assessment of crystal phase–properties relationship
Abstract High‐entropy oxides (HEOs), a class of newly emerging energy conversion and
storage technology materials, have gained significant interest due to their unique structure …
storage technology materials, have gained significant interest due to their unique structure …
Formation ability descriptors for high-entropy diborides established through high-throughput experiments and machine learning
Establishing formation ability descriptors is essential for facilitating the discovery and design
of high-entropy diborides (HEBs) with tailorable properties. In this work, we establish an …
of high-entropy diborides (HEBs) with tailorable properties. In this work, we establish an …
Machine intelligence accelerated design of conductive MXene aerogels with programmable properties
S Shrestha, KJ Barvenik, T Chen, H Yang, Y Li… - Nature …, 2024 - nature.com
Designing ultralight conductive aerogels with tailored electrical and mechanical properties is
critical for various applications. Conventional approaches rely on iterative, time-consuming …
critical for various applications. Conventional approaches rely on iterative, time-consuming …
Inverse design of truss lattice materials with superior buckling resistance
Manipulating the architecture of materials to achieve optimal combinations of properties
(inverse design) has always been the dream of materials scientists and engineers. Lattices …
(inverse design) has always been the dream of materials scientists and engineers. Lattices …
In silico chemical experiments in the age of AI: From quantum chemistry to machine learning and back
Computational chemistry is an indispensable tool for understanding molecules and
predicting chemical properties. However, traditional computational methods face significant …
predicting chemical properties. However, traditional computational methods face significant …
Tunable valley-spin splitting in a Janus monolayer and giant valley polarization via vanadium do**
J Zhao, Y Qi, C Yao, H Zeng - Physical Review B, 2024 - APS
Exploring spin-valley coupling in two-dimensional (2D) materials with strong spin-orbit
coupling (SOC) is of great significance for fundamental physics and practical applications …
coupling (SOC) is of great significance for fundamental physics and practical applications …
Sliding ferroelectricity in bilayer honeycomb structures: A first-principles study
Z Wang, Z Gui, L Huang - Physical Review B, 2023 - APS
The sliding ferroelectricity is engineered by artificially stacking the nonpolar two-dimensional
(2D) materials, which greatly broadens the 2D ferroelectrics from very few candidate …
(2D) materials, which greatly broadens the 2D ferroelectrics from very few candidate …