New Type of 2D Perovskites with Alternating Cations in the Interlayer Space, (C(NH2)3)(CH3NH3)nPbnI3n+1: Structure, Properties, and Photovoltaic Performance

Journal of the American Chemical Society
Chan Myae Myae SoeMercouri G Kanatzidis

Abstract

We present the new homologous series (C(NH2)3)(CH3NH3)nPbnI3n+1 (n = 1, 2, 3) of layered 2D perovskites. Structural characterization by single-crystal X-ray diffraction reveals that these compounds adopt an unprecedented structure type, which is stabilized by the alternating ordering of the guanidinium and methylammonium cations in the interlayer space (ACI). Compared to the more common Ruddlesden-Popper (RP) 2D perovskites, the ACI perovskites have a different stacking motif and adopt a higher crystal symmetry. The higher symmetry of the ACI perovskites is expressed in their physical properties, which show a characteristic decrease of the bandgap with respect to their RP perovskite counterparts with the same perovskite layer thickness (n). The compounds show a monotonic decrease in the optical gap as n increases: Eg = 2.27 eV for n = 1 to Eg = 1.99 eV for n = 2 and Eg = 1.73 eV for n = 3, which show slightly narrower gaps compared to the corresponding RP perovskites. First-principles theoretical electronic structure calculations confirm the experimental optical gap trends suggesting that the ACI perovskites are direct bandgap semiconductors with wide valence and conduction bandwidths. To assess the potential of the ACI perovsk...Continue Reading

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Citations

Jul 13, 2018·Angewandte Chemie·Bogdan M BeninMaksym V Kovalenko
Jan 31, 2019·ChemSusChem·Carmen Ortiz-CervantesDiego Solis-Ibarra
Dec 20, 2018·Proceedings of the National Academy of Sciences of the United States of America·Chan Myae Myae SoeMercouri G Kanatzidis
Sep 21, 2019·Angewandte Chemie·Nicolas Mercier
May 19, 2020·Advanced Materials·Tingwei HeMingjian Yuan
Jun 24, 2020·Reports on Progress in Physics·Chintam HanmandluChih-Wei Chu
Jul 1, 2020·Proceedings of the National Academy of Sciences of the United States of America·Lingping KongHo-Kwang Mao
Sep 8, 2020·Physical Chemistry Chemical Physics : PCCP·Alberto FraccarolloMaurizio Cossi
Feb 4, 2021·Journal of the American Chemical Society·Eugenia S VasileiadouMercouri G Kanatzidis
Dec 6, 2020·Nature Nanotechnology·Jean-Christophe BlanconAditya D Mohite
Mar 21, 2021·Light, Science & Applications·Li ZhangMingjian Yuan
Mar 18, 2021·Reports on Progress in Physics·Ziming ChenHin-Lap Yip
Apr 28, 2021·Journal of the American Chemical Society·Ioannis SpanopoulosMercouri G Kanatzidis
Jun 8, 2021·Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials·Walter P D WongAndrew C Grimsdale
Jun 8, 2021·Chemical Science·Justin M HoffmanMercouri G Kanatzidis
Aug 4, 2021·Journal of the American Chemical Society·Lili GaoMercouri G Kanatzidis
Aug 7, 2021·Journal of the American Chemical Society·Ruiyang LyuYiying Wu
Apr 23, 2019·The Journal of Physical Chemistry Letters·Tingting NiuWei Huang
Mar 5, 2019·Journal of the American Chemical Society·Ioannis SpanopoulosMercouri G Kanatzidis

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