Journal Article

Boosting Electronic Properties of CsPbBr 3 Nanocrystals via Lithium-Ion Doping and Surface Passivation for Enhanced Electrical Conductivity and Efficient White Light-Emitting Diodes

Leydecker, Tim, Moyez, Sk Abdul, Haris, Hamood Ur Rehman, Wan, Siyuan, Moin, Muhammad, Thumu, Udayabhaskararao, Ge, Zhongsheng, Piotrowski, Marek, Wang, Zhiming, Dong, Lizhuang

2025

Overview

Lithium's interaction with CsPbBr nanocrystals (NCs), can enhancing its intrinsic electrical conductivity (σ) for high-performance device applications. Herein, two distinctly different modes of Li⁺ interaction with CsPbBr NCs: minor lattice insertion (0.07% relative to Cs) and predominant surface passivation is reported through Li Pb alloy formation. In contrast, Li⁺ exhibits significantly reduced interaction with Cs PbBr NCs, which could be due to the persence of lower amount of Pb on the surface of these structures. The σ of CsPbBr :xLi NCs through bottom-contact devices exhibited a gradual increase from 2.1 × 10 to as high as 2.5 × 10 S m , which is a 50-fold improvement compared to CsPbBr NCs. The enhanced σ is attributed to the presence of Li doping and surface passivation of CsPbBr by the Li Pb ligated complexes. DFT calculations revealed electron movement from the valence and to conduction band and a reduced bandgap further supporting the inferences from experimental studies. The unique feature of the increased luminescence and σ of CsPbBr :Li NCs is explored for fabricating white light emitting diodes. The luminescence efficacy of the device is in the range of 88.5 to 112.5 lm W which is higher compared to pure CsPbBr NCs (96.5 lm W ), offering a pathway for advanced optoelectronic applications.