Tailoring hydrogen storage performance of Mg-Mg <sub>2</sub> Ni alloys: synergistic effects of composition and phase formation with first-principles insights
Duy Van Lai, Son Hoang Nguyen, Hoang Anh Nguyen, Van‐Toan Nguyen, Linh Chi Dinh, Đoàn Đình Phương, Trang Thi Pham, Van Hong Thi Phung, Matteo Tonezzer, Duong Duc La, Nguyễn Thanh Tùng, Tran Bao Trung
Abstract
), confirming faster desorption kinetics. Pressure-composition-temperature (PCT) isotherms and van't Hoff analysis further supported the favorable thermodynamics of Mg-25Ni. Notably, this alloy exhibited excellent cyclic stability with minimal capacity loss over 10 cycles. These findings establish Mg-25Ni as a promising candidate for high-efficiency, reversible hydrogen storage, bridging fundamental insights with practical material design.
Topics & Concepts
Hydrogen storagePhase (matter)Composition (language)Materials scienceChemical engineeringHydrogenChemistryMetallurgyAlloyOrganic chemistryLinguisticsEngineeringPhilosophyHydrogen Storage and MaterialsMagnesium Alloys: Properties and ApplicationsMXene and MAX Phase Materials