Anuraj Kshirsagar1,Yashpal Singh1,Udara Kuruppu1,Bruno Donnadieu1,Neeraj Rai1,Mahesh Gangishetty1
Mississippi State University1
Anuraj Kshirsagar1,Yashpal Singh1,Udara Kuruppu1,Bruno Donnadieu1,Neeraj Rai1,Mahesh Gangishetty1
Mississippi State University1
Organic-inorganic hybrid metal halides have been drawing attention due to their exceptional optoelectronic properties. Like lead halide perovskites, the optoelectronic properties of hybrid metal halides are governed by B-site cations and X-site halides; the frontier orbitals are localized on B and X sites. However, the role of A-site cations remains restricted in governing optoelectronic properties as their electronic levels lie away from the frontier orbitals. Conventionally, A-site cations are only believed to be useful for the stabilization of crystal structure. Rational engineering of A-site cations can offer opportunities to tailor the role of A-site in governing optoelectronic properties beyond structural stabilization. In my presentation, I will discuss the role of three different anilinium-based A-site cations in Sb<sup>3+</sup>-doped zero-dimensional indium chlorides to control optical properties through<i> </i>their contribution to the band edge states. Our experimental and theoretical results demonstrate that with the increase in methyl substitution at the <i>ortho</i> position, <i>p</i>-orbital contribution near the band edge states increases, leading to the delocalization of the frontier orbitals across organic and inorganic moieties. Sb<sup>3+</sup>-doped 0D indium chlorides exhibit broadband emission with high PLQY (maximum 93%) and excellent stability in a range of polar and non-polar solvents for 21 days, including water.