Опубликована: Янв. 1, 2025
Язык: Английский
Опубликована: Янв. 1, 2025
Язык: Английский
Engineering With Computers, Год журнала: 2024, Номер unknown
Опубликована: Окт. 16, 2024
Язык: Английский
Процитировано
3Advanced Functional Materials, Год журнала: 2025, Номер unknown
Опубликована: Янв. 28, 2025
Abstract 2D coating materials represent a promising class of corrosion protection technologies for copper. The high‐throughput screening methodology, focusing on specific properties, is promisingly expected to expedite the design and development materials. Herein, key features materials, including thermodynamic stability, electronic insulation, strong internal chemical bonds, weak interfacial adhesion, resistance corrosive medium adsorption, are identified based mechanistic analysis established An automated workflow formulated, encompassing heterostructure modeling, adsorption site selection, lattice deformation assessments, facilitate derivation physical properties pertinent applications. Among 13 exhibiting adhesion Cl, nine fluorides, suggesting their substantial potential Furthermore, from an extensive pool 15733 monolayer 11184 bilayer three (IrSCl, IrSF, TiNF) four (PdF‐1, PdF‐2, PdF‐3, SiF‐2) filtered out These findings not only present candidates but also contribute valuable theoretical perspectives, guiding rational with targeted properties.
Язык: Английский
Процитировано
0Wear, Год журнала: 2025, Номер unknown, С. 205827 - 205827
Опубликована: Янв. 1, 2025
Язык: Английский
Процитировано
0Chemical Engineering Journal, Год журнала: 2025, Номер unknown, С. 160426 - 160426
Опубликована: Фев. 1, 2025
Язык: Английский
Процитировано
0Опубликована: Янв. 1, 2025
Язык: Английский
Процитировано
0