Green CsSnX3 (X = Cl, Br, I)-Derived Quantum Dots for Photovoltaic Applications: First-Principles Investigations

• DOI: 10.1021/acs.jpcc.0c08220
• Publication Date: 2021-01-23T03:41:00Z
• Authors: Bhakti Kshirsagar; Namrata Jaykhedkar; Kalpna Jain; Shyam Kishor; Vaishali Shah; Lavanya M. Ramaniah; Shivani Tiwari
• Keywords: LUMO; HOMO; Natural transition; charge collection; band gaps; Chemical Sciences not elsewhere classified; Science Policy; Photovoltaic Applications; recombination rates; absorption properties; size dependence; charge separation; 02 engineering and technology; charge distribution; 7. Clean energy; excitonic energies; lead-based perovskites; PV applications; lead-free perovskites; QD; CsSnI 3; Time-dependent DFT simulations show; PV cells; PV efficiency; charge transfer; quantum confinement effects; band gap increase; Green CsSnX 3; ligated CsSnX 3; Sn p; UV; First-Principles Investigations Pho.; halide p; 0210 nano-technology; Physical Sciences not elsewhere classified; Biotechnology; Biological Sciences not elsewhere classified; first-principles density

Photovoltaic (PV) materials with high efficiencies are currently the lead-based perovskites. However, nontoxic, stable, lead-free perovskites are of immense interest as environment-friendly green m...