Correction for Rapid Decoherence Suppresses Charge

Addition/Correction pubs.acs.org/NanoLett

Cite This: Nano Lett. XXXX, XXX, XXX−XXX

Correction for Rapid Decoherence Suppresses Charge Recombination in Multilayer 2D Halide Perovskites: Time-Domain Ab Initio Analysis Zhaosheng Zhang, Wei-Hai Fang, Marina V. Tokina, Run Long,* and Oleg V. Prezhdo Nano Lett. 2018, 18 (4), 2459−2466. DOI: 10.1021/acs.nanolett.8b00035

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n the original paper, the bandgaps of 2.7 and 2.17 eV were used for the (BA)2PbI4 and (BA)2(MA)2Pb3I10 systems, leading to the 645 and 1035 ps times for the electron−hole recombination, respectively. However, the experimental bandgaps for these mono- and trilayer systems are 2.4 and 1.9 eV. Hence, we repeated the NAMD calculations and obtained the 505 and 825 ps recombination times for the mono- and trilayer perovskites, see revised Figure 6 and Table 1 presented here. The new calculations do not change the original conclusions.

REFERENCES

(1) Guo, Z.; Wu, X.; Zhu, T.; Zhu, X.; Huang, L. ACS Nano 2016, 10, 9992−9998.

Figure 6. Electron−hole recombination dynamics in (BA)2PbI4 and (BA)2(MA)2Pb3I10. Trilayer (BA)2(MA)2Pb3I10 shows slower decay compared to monolayer (BA)2PbI4 due to the shorter coherence time, despite larger NA coupling and smaller bandgap, Table 1.

Table 1. Experimental Bandgaps,1 Calculated Average Absolute Nonadiabatic Coupling, Pure-Dephasing Time, Homogeneous Line Width, and Nonradiative Electron-Hole Recombination Time for (BA)2PbI4 and (BA)2(MA)2Pb3I10 (BA)2PbI4 (BA)2(MA)2Pb3I10

bandgap (eV)

nonadiabatic coupling (meV)

pure-dephasing (fs)

homogeneous line width (meV)

recombination (ps)

2.4 1.9

0.41 1.49

8.1 4.7

80 138

505 825

© XXXX American Chemical Society

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DOI: 10.1021/acs.nanolett.8b01388 Nano Lett. XXXX, XXX, XXX−XXX