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. 2019 Apr 30;6(13):1900397. doi: 10.1002/advs.201900397

Figure 5.

Figure 5

Time‐dependent density functional theory calculation results. a) The model CQDs structure, b) calculated HOMO, and c) LUMO of CQDs‐0 (without any EDG passivation), CQDs‐NH2, ‐NMe2,‐NEt2, and ‐NPr2, respectively (from left to right). Bottom rows of (a) are corresponding calculated λem and f.