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. 2017 Aug 11;3(8):e1701217. doi: 10.1126/sciadv.1701217

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Copyright © 2017 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works. Distributed under a Creative Commons Attribution NonCommercial License 4.0 (CC BY-NC).

This is an open-access article distributed under the terms of the Creative Commons Attribution-NonCommercial license, which permits use, distribution, and reproduction in any medium, so long as the resultant use is not for commercial advantage and provided the original work is properly cited.

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Fig. 4 — (A) Relaxed structures of CH₃NH₃PbBr₃ with positive and negative charge injection. Changes in Pb-Br-Pb bending and Pb-Br length are shown. (B to E) Potential energy surfaces for relaxation of the CH₃NH₃PbBr₃ (B and C) and CsPbBr₃ (D and E) unit cell (four formula units) upon positive (B and D; red curve) and negative (C and E; blue curve) charge injection. The neutral state energy (black) along the distortion coordinate is also shown.