Reduced Band Gap Hybrid Perovskites Resulting from Combined Hydrogen and Halogen Bonding at the Organic−Inorganic Interface
Reduced Band Gap Hybrid Perovskites Resulting from Combined Hydrogen and Halogen Bonding at the Organic−Inorganic Interface
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DOI：
10.1021/cm062380e
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发表时间：
2007-01
影响因子：
8.6
通讯作者：
S. Sourisseau;Nicolas Louvain;Wenhua Bi;N. Mercier;D. Rondeau;F. Boucher;J. Buzaré;C. Legein
中科院分区：
文献类型：
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作者：
S. Sourisseau;Nicolas Louvain;Wenhua Bi;N. Mercier;D. Rondeau;F. Boucher;J. Buzaré;C. Legein
结合X−(CH2)2−NH3+ (X = Br, Cl)阳离子的pbi4基杂化钙钛矿形成了未变形的钙钛矿层。这些化合物突出的结构特征是卤素和氢键在有机-无机界面的结果，导致钙钛矿层和铵部分的赤道碘原子之间没有氢键，后者位于钙钛矿层之外。结果表明，与其他盐（I−(CH2)2−NH3）2PbI4相比，这些红盐显示出更小的带隙（2.2 eV），分配给更分散的HOMO带。
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.