A reasonable approach to describe the atom distributions and configurational entropy in high entropy alloys based on site preference

High-entropy alloy screening for halide perovskites

“…In order to screen for promising alloy compositions, we assume each sublattice (A cation, B cation, and X anion) behaves like an ideal solid solution 12 to calculate the entropy of mixing (configurational entropy; S / R ), as well as the ES term in the Gibbs energy equation at 300 K: R is the gas constant, T is temperature (K), and y A i is the mole fraction of the i th constituent on the A sublattice in ABX 3 . Actual atomic distributions in (metal) HEA have been considered, 29,30 and simple scaling rules have been developed to predict HEA stability for metals. 31–37 Unlike metals, ABX 3 HP have covalent to ionic bonding and 3 distinct lattice sites (A, B, and X), which limits how much they can be stabilized with configurational entropy.…”

“…R is the gas constant, T is temperature (K), and y A i is the mole fraction of the ith constituent on the A sublattice in ABX 3 . Actual atomic distributions in (metal) HEA have been considered, 29,30 and simple scaling rules have been developed to predict HEA stability for metals. [31][32][33][34][35][36][37] Unlike metals, ABX 3 HP have covalent to ionic bonding and 3 distinct lattice sites (A, B, and X), which limits how much they can be stabilized with configurational entropy.…”

A review of noble metal-free high entropy alloys for water splitting applications

“…46 This results in severe distortion of the lattice due to size mismatches 69 and results in surface strain which contributes to congurational entropy. 70 Consequently, this affords HEAs with excellent mechanical properties such as high yield strength and ductility, [71][72][73] as well as good catalytic properties, [74][75][76] although the effect on mechanical properties is more widely reported. Li et al 77 found that the selective laser melting of CoCrFeMnNi HEA displayed large numbers of dislocations and severe lattice distortion.…”

Designing strategies and enhancing mechanism for multicomponent high-entropy catalysts

“…The physical and chemical properties of HEMs directly affect the surface adsorption and desorption of intermediates during a catalytic process. [77][78][79] Thus, surface defect engineering is a highly signicant and useful strategy to enhance the catalytic activity by regulating the surface electronic structures of HEMs. Although atomically mixing multiple elements makes it easy for the existence of abundant defects, the strategies to introduce defects is disparate with regard to various high-entropy compounds, such as hydroxides, perovskite oxides, layered double hydroxides (LDHs), and MOFs.…”

“…However, the disordered crystal structures would limit the underlying atomic conguration of constituent metallic elements and then hinder the display of certain underlying benecial properties. 79,105,106 However, multicomponent high-entropy intermetallic nanoparticles are challenging to prepare due to the tendency of phase separation and particle aggregation during annealing. To solve these issues, Hu and coworkers used 5 min Joule heating to promote the phase transition of HEA (e.g., PtPdAuFeCoNiCuSn) nanoparticles into an L10 intermetallic structure.…”