Designing hybrid materials with advanced optical properties using superalkali M3O (M = Li, Na, and K) and isoelectronic species of cyclo[18]carbon (B6C6N6 and B9N9).

The geometric, electronic, and optical properties of hybrid materials formed by complexing B6C6N6 and B9N9 with superalkali M3O (M = Li, Na, and K), that is, M3O@B6C6N6 and M3O@B9N9 (M = Li, Na, and K), were studied systematically using (time-depende…

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