Interaction and bioconjugation of CdSe/ZnS core/shell quantum dots with maltose-binding protein

Abstract Quantum dot (QD)-protein hybrid bioconjugation at atomic level has been studied for the dihydrolipoic acid (DHLA) capped CdSe/ZnS core/shell QDs with Maltose-binding protein in gas phase using ab initio and ONIOM methods. Spectroscopic properties have been investigated for bare QD and QD-protein complex. The spectral properties reveal that red-shift in wavelengths of QD-protein complex have been observed. The light harvesting efficiency (LHE) has been calculated for the bare QD and QD-protein complex. It has been found that bare CdSe/ZnS core/shell QDs are potential candidates for enhanced light harvesting efficiency.