Controlled tuning of HOMO and LUMO levels in supramolecular nano-Saturn complexes.

ABSTRACT: Optoelectronics usually deals with the fabrication of devices that can interconvert light and electrical energy using semiconductors. The modification of electronic properties is crucial in the field of optoelectronics. The tuning of the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) and their energy gaps is of paramount interest in this domain. Herein, three nano-Saturn supramolecular complex systems are designed, i.e., Al₁₂N₁₂@S-belt, Mg₁₂O₁₂@S-belt, and B₁₂P₁₂@S-belt, using S-belt as the host and Al₁₂N₁₂, Mg₁₂O₁₂, and B₁₂P₁₂ nanocages as guests. The high interaction energies ranging from -22.03 to -63.64 kcal

SUBMITTER: Maqbool M 

PROVIDER: S-EPMC11636639 | biostudies-literature | 2024 Dec

REPOSITORIES: biostudies-literature