Ab initio investigation of hydrogenation of (BN)16: A comparison with that of (BN)12

A quantum chemical study on the remarkable nonlinear optical and electronic characteristics of boron nitride nanoclusters by complexation via lithium atom

“…Recently fullerene-like cage of boron nitride nanostructures have attracted considerable attention due to their remarkable chemical and physical properties, particularly of wide gap semiconductors [24][25][26][27][28]. The geometries and stability of fullerene-like (BN) n nanoclusters have been theoretically investigated by many researchers [29][30][31][32][33]. Fowler et al [29] theoretically showed that B 12 N 12 and B 16 N 16 are magic stable BN fullerenes.…”

Theoretical assessment of phosgene adsorption behavior onto pristine, Al- and Ga-doped B12N12 and B16N16 nanoclusters

“…These materials are insulator with wide band gap. The geometries and stability of fullerene-like (BN) n nanoclusters have been theoretically investigated by many researchers [11][12][13][14][15]. Fowler et al [11] theoretically showed that the B 12 N 12 and B 16 N 16 are magic stable BN fullerenes.…”

A computational study on the interaction between O$_{2}$ and pristine and Ge-doped aluminum phosphide nanotubes

“…These materials have unique and fascinating electrical, optical, chemical, thermal, and optoelectrical properties, and have wide potential applications [4][5][6][7][8][9][10][11][12]. Moreover, many experimental and theoretical investigations have been carried out on the tubular properties and the potentially very large adsorptive capacity of nanotubes, making them promising candidates for use in gas storage and gas sensor applications [13][14][15].…”