In this work, we present an in-depth comprehensive study on the evolution of various point defects in 100 keV lithium (Li) ion implanted ZnO nanorods (NRs) with varying the fluences from 1×1014 to 7×1015 ions/cm2. The analyses of x-ray photoelectron spectroscopy results validate the incorporation of Li1+ at Zn2+ site forming LiZn acceptors in the implanted NRs. Detailed x-ray diffractometry results indicate that the structural disorders increase with an increase in the Li ion fluence. Raman scattering analyses also gives a clear indication of an increase in the lattice disorder as well as formation of oxygen vacancy in the ZnO NRs due to Li ion implantation. Again, the I-V measurement indicates highly resistive NRs after implantation due to probable formation of both the acceptors and the various implantation-induced defects in the Li implanted NRs. A clear correlation between zinc vacancy (VZn) and the green photoluminescence emission in the implanted ZnO NRs has been confirmed. However, a suppression of the green emission has been observed at higher fluences, which is possibly due to an apparent decrease in the VZn concentration. The theoretical Monte Carlo simulation code named Stopping and Range of Ions in Matter well explains the experimental observations in the context of energy lose by the implanted Li ions and the distribution of intrinsic point defects in the target ZnO. The consistency between our various experimental and the theoretical simulation results confirms our understandings on the formation and evolution of various point defects in the implanted ZnO NRs making this study a benchmark for understanding the defects owing to group I ion implantation in ZnO NRs.
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