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Reduced Band Gap Hybrid Perovskites Resulting from Combined Hydrogen and Halogen Bonding at the Organic−Inorganic Interface

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journal contribution
posted on 06.02.2007, 00:00 by Sebastien Sourisseau, Nicolas Louvain, Wenhua Bi, Nicolas Mercier, David Rondeau, Florent Boucher, Jean-Yves Buzaré, Christophe Legein
Undistorted perovskite layers are formed in PbI4-based hybrid perovskites incorporating X−(CH2)2−NH3+ (X = Br, Cl) cations. The outstanding structural feature of these compounds is the result of halogen and hydrogen bonding at the organic−inorganic interface, leading to the absence of hydrogen bonds between equatorial iodine atoms of the perovskite layer and ammonium parts, these last being located out of perovskite layers. As a consequence, these red salts display a reduced band gap (2.2 eV) which is assigned to a more disperse HOMO band compared to other salts such as (I−(CH2)2−NH3)2PbI4.