The crystal structures, phase stabilities, electronic structures and bonding features of iridium borides from first-principles calculations
Jinquan Zhang, Yuanyuan Jin, Chuanzhao Zhang, Yanqi Wang, Libiao Tang, Li Song, Meng Ju, Jingjing Wang, Weiguo Sun, Xilong Dou
Abstract
We mainly probe into phase stabilities, structural characters, elastic anisotropy and bonding features of the iridium borides under ambient pressure.
Topics & Concepts
IridiumCrystal structureMaterials scienceElectronic structurePhase (matter)CrystallographyComputational chemistryChemistryCatalysisOrganic chemistryMXene and MAX Phase MaterialsBoron and Carbon Nanomaterials ResearchInorganic Chemistry and Materials