Phys.org March 14, 2024
MXenes are a family of 2D materials typically formed by etching the A element from a parent MAX phase. Computational screening for other 3D precursors suitable for such exfoliation is challenging because of the intricate chemical processes involved. Researchers in Sweden proposed a theoretical approach for predicting 2D materials formed through chemical exfoliation under acidic conditions by identifying 3D materials amenable for selective etching. From a dataset of 66,643 3D materials, they identified 119 potentially exfoliable candidates, within several materials families. To corroborate the method, they chose a material distinctly different from MAX phases, in terms of structure and chemical composition, for experimental verification. According to the researchers the high-throughput methodology suggests a vast chemical space of 2D materials from chemical exfoliation… read more. TECHNICAL ARTICLE