Composite approach towards layered hybrid perovskites: Implications on band alignment and quantum and dielectric confinements
Boubacar Traore a, Laurent Pedesseau b, Linda Assam b, Xiaoyang Che a, Jean-Christophe Blancon c, Hsinhan Tsai c, Wanyi Nie c, Constantinos C. Stoumpos d, Mercouri G. Kanatzidis d, Sergei Tretiak c, Aditya D. Mohite c, Jacky Even b, Mikaël Kepenekian a, Claudine Katan a
a Institut des Sciences Chimiques de Rennes, CNRS, Université de Rennes 1, Ecole Nationale Supérieure de Chimie de Rennes, INSA Rennes, Rennes, France
b Fonctions Optiques pour les Technologies de l’Information (FOTON), Institut National des Sciences Appliquées (INSA) de Rennes, CNRS, UMR 6082, Rennes, France
c Los Alamos National Laboratory, US, MS-J567, Los Alamos, NM 87545, United States
d Department of Chemistry, Northwestern University, United States, Sheridan Road, 2145, Evanston, United States
NIPHO
Proceedings of International Conference on Perovskite Thin Film Photovoltaics, Photonics and Optoelectronics (ABXPV18PEROPTO)
Perovskite Thin Film Photovoltaics (ABXPV18). 27-28 Feb
Rennes, France, 2018 February 27th - March 1st
Organizer: Jacky Even
Poster, Boubacar Traore, 035
Publication date: 11th December 2017

Layered hybrid perovskites have recently re-emerged as potential technological viable solutions for photovoltaic and optoelectronic applications. Their environmental stability and immunity to moisture coupled to their exciting optoelectronic properties, have given them a new opportunity in the search of efficient solar cell and light emitting devices1,2. Understanding their fundamental optical and electronic properties will be important for optimization. To this aim, we present a systematic theoretical method that considers layered perovskites as composite materials3 in which band alignment between the perovskite and organic layers becomes affordable. Such an alignment is an important performance criterion in the operation of optoelectronic devices. We investigate effects such as the thickness of the perovskite well, its chemical composition and the length of the organic barrier on the confinement potentials. Moreover, we extend the method to inspect dielectric profiles with the salient feature of allowing the clear identification of the contributions of the perovskite and organic layers to the total dielectric profile. Finally, with the insight gained from the different effects on band alignments, we propose design guidelines with the aim of achieving efficient optoelectronic devices. Hence, using the composite approach, we establish alternative theoretical methods to investigate the properties of layered perovskites and forecast that the approach will be relevant to inspect other 2D materials.

References:

1. Tsai et al. “High-efficiency two-dimensional Ruddlesden–Popper perovskite solar cells” , Nature, vol. 536, 2016

2. Mao et al., “Tunable White-Light Emission in Single-Cation-Templated Three- Layered 2D Perovskites (CH3CH2NH3)4Pb3Br10−xClx”, J. Am. Chem. Soc., vol. 139, pp. 11956−11963, 2017

3. Even et al., “Understanding Quantum Confinement of Charge Carriers in Layered 2D Hybrid Perovskites”, ChemPhysChem, vol. 15, 3733 – 3741, 2014

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