Harnessing machine learning for high-entropy alloy catalysis: a focus on adsorption energy prediction DOI Creative Commons
Qi Wang, Yonggang Yao

npj Computational Materials, Journal Year: 2025, Volume and Issue: 11(1)

Published: April 4, 2025

Language: Английский

High electronegativity of Ag and P in high-entropy materials synergistically promotes efficient water electrolysis DOI
Bo Zhang,

Mengzhao Liu,

Jie Yin

et al.

International Journal of Hydrogen Energy, Journal Year: 2025, Volume and Issue: 105, P. 521 - 530

Published: Jan. 25, 2025

Language: Английский

Citations

1
Rational regulation of oxygen vacancies in high-entropy oxides to balance FeOx and FexCy phases for catalytic CO2 hydrogenation to light olefins DOI
Zhijiang Ni, Lin Su, Xiaoyu Chen

et al.

Journal of Colloid and Interface Science, Journal Year: 2025, Volume and Issue: 686, P. 379 - 390

Published: Jan. 31, 2025

Language: Английский

Citations

1
Recent developments in CoCrFeNi-based high entropy alloy coatings: design, synthesis, and properties DOI
Fengling Zhang, Xiaohong Chen, He Liu

et al.

Journal of Alloys and Compounds, Journal Year: 2025, Volume and Issue: unknown, P. 179193 - 179193

Published: Feb. 1, 2025

Language: Английский

Citations

1
Stabilizing charge density waves by mixing transition metal elements in monolayer XS2 with trigonal-prismatic coordination DOI
Chi‐Cheng Lee,

Yukiko Yamada‐Takamura

Physical review. B./Physical review. B, Journal Year: 2025, Volume and Issue: 111(3)

Published: Jan. 9, 2025

The electronic structure and phonon dispersion of XS2 with X = Co, Tc, Ti, Ru, Nb, Rh in the monolayer MoS2 trigonal-prismatic coordination are studied from first principles. Although each is dynamically unstable, CoS2, TcS2, RuS2, RhS2 can be stabilized by developing charge density waves (2×2) supercell, leading to metal-insulator transitions. Without necessitating transitions large atomic distortions, total energy may lowered mixing different transition metal elements create multicomponent combinations for X=Mo, supercell mentioned previously, which offers deeper insight into stability mechanism two-dimensional complex-concentrated materials presents a wide range compounds that exhibit variety band structures, including direct- indirect-gap semiconductors, metals, semimetals. In addition, nonmagnetic MoS2, TiS2, RuS2 become magnetic after being mixed form MoCoTiRuS8, showing great potential spintronics applications. locked icon Physics Subject Headings (PhySH)Charge wavesElectronic structureLattice dynamicsStructural propertiesTransition dichalcogenidesFirst-principles calculations

Language: Английский

Citations

0
Boosting HER Activity of FeCoNiMnZn High-Entropy Alloys supported on Nitrogen-doped Carbon Nanotubes DOI

Hao Ye,

Juan Su,

Guangxu Yang

et al.

Materials Today Communications, Journal Year: 2025, Volume and Issue: unknown, P. 112365 - 112365

Published: March 1, 2025

Language: Английский

Citations

0
Carbon cloth-supported high-entropy transition metal selenides as high-performance oxygen evolution reaction catalysts DOI
Changyu Hu, Xiaoyu Liu,

Guoping Han

et al.

Colloids and Surfaces A Physicochemical and Engineering Aspects, Journal Year: 2025, Volume and Issue: unknown, P. 136819 - 136819

Published: April 1, 2025

Language: Английский

Citations

0
Harnessing machine learning for high-entropy alloy catalysis: a focus on adsorption energy prediction DOI Creative Commons
Qi Wang, Yonggang Yao

npj Computational Materials, Journal Year: 2025, Volume and Issue: 11(1)

Published: April 4, 2025

Language: Английский

Citations

0