“…At the IIIA group, the In atom shares similar outer electron arrangement with Ga atom and possesses larger atomic radius, which can be substitutionally doped in β-Ga 2 O 3 and has been well investigated at theoretical and experimental aspects in previous studies. 18,32,33 The enlarged In-O bonds are expected to weaken the In-O bond intensity and reduce the exfoliation energy, thus making it easy and efficient to obtain ML Ga 2 O 3 . To verify this conjecture, herein, we use first-principles calculation method to evaluate the ML Ga 2 O 3 exfoliation efficiency with the assistance of In-doping, and the doping influence on stability, structural, and electronic properties are systematically studied.…”