Zero thermal expansion (ZTE) materials provide exceptional dimensional stability under temperature fluctuations, making them indispensable for high-precision instrumentation and extreme environments. However, their natural scarcity, combined with the vast compositional space in multicomponent systems, renders tradition...
Song Yang, Jing-Han Li, Wan-Da Yang et al.· Advances in Materials· 0 citations
The application of high‐entropy intermetallic (HEI) compounds in the field of catalysis has attracted widespread attention, but their huge material space seriously hinders experimental exploration. Herein, we for the first time reported the efficient design, screening, and prediction of a great deal of high‐perform...
Hao Deng, Li-Ming Yang· Advanced Energy Materials· 0 citations
In this work, 65 Sc-based quaternary Heusler alloys with 18 valence electrons are systematically investigated by density functional theory in search of new semiconducting materials with multifunctional properties. Structural optimization identifies Y-type (I) and Y-type (II) as the dominant ground-state configurations,...
Miloudi Mohamed Esseddik, Salem Hebri, Imad Khaled Khaled Bensafa et al.· Physica Scripta· 0 citations
Bismuth layer-structured ferroelectrics (BLSFs) are critical candidates for high-temperature piezoelectric applications, yet their inherently low piezoelectric activity (d33) restricts their practical implementation. In this study, a machine-learning-guided strategy was employed to rationally design multisite Li+/Ce3...
Metallenes have appealing properties, but stabilizing them in a monolayer phase poses challenges for their synthesis. A recent experiment showed that the van der Waals squeezing method can stabilize certain metallenes in a MoS2 sandwich. This pioneering work motivates systematic studies, but such studies are experiment...
The sluggish kinetics of the ammonia oxidation reaction constitute a critical bottleneck in the development of low‐temperature direct ammonia fuel cells. High‐entropy alloys (HEAs), owing to their diverse active sites, have emerged as promising catalysts. However, their vast compositional space makes traditional quan...
Shangfeng Jiang, Ting Tao, Kexiang Guo et al.· ENERGY & ENVIRONMENTAL M...· 1 citation
We use cookies to run the site and, with your consent, for analytics and to show ads.
See our Cookie Policy.
