Unraveling Superior Elasticity and Controlled Thermal Expansion in Trigonal MBO3 (M = Al, Ga) with Isolated [BO3] Group: A Theoretical Perspective
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DOI: 10.1002/ejic.202400379
Abstract: A comprehensive theoretical investigation employing density functional theory explores the electronic structure, temperature‐dependent elasticity, thermodynamic properties, and chemical bonding of trigonal MBO3 (M = Al, Ga) with isolated [BO3] groups. The results uncover MBO3 (M… read more here.
Keywords: thermal expansion; isolated bo3; mbo3 isolated; trigonal mbo3 ... See more keywords