Chromate ions chemisorption over the exterior surface of pristine boron nitride (B12N12) nanocage: A computational study

Structural and Physicochemical Properties of Carbon Doped Boron Nitride Fullerenes: Effect of Doping Level and Atomic Arrangement

“…[1][2][3][4][5] However, during the last decade, the scientific research of nanosized BN has been fueled by their potential use in biology, [6] DOI: 10.1002/adts.202300698 medicine, [7] molecular sensing, [8] energy storage, [9] and environmental remediation. [10,11] As a result, extensive theoretical studies [12,13] and synthesis routes [14][15][16] to obtain these isoelectronic analogs of carbon nanostructures have been developed. In this regard, the 0D boron nitride fullerenes (BNFs) are among the most stable polymorphs of BN nanostructures, particularly, those having polygonal faces with an even number of atoms.…”

“…For example, several studies on the sorbate-sorbent interaction between the B 12 N 12 fullerene and hydroxyurea, favipiravir, 5-fluorouracil and other drugs have been reported, [20,21] concluding that this BNF can be used as smart drug delivery carrier. A. Waheed et al [10] evaluated by first principles calculations the adsorption energy of chromate ions on B 12 N 12 nanocages. They found that such chemical species are chemisorbed on the BNF, proposing this nanostructure as an efficient adsorbent for purification of water.…”

“…A. Waheed et al. [ 10 ] evaluated by first principles calculations the adsorption energy of chromate ions on B 12 N 12 nanocages. They found that such chemical species are chemisorbed on the BNF, proposing this nanostructure as an efficient adsorbent for purification of water.…”