Ab-initio Calculations to Ultrasonically Sprayed Thin Films of Bismuth Triiodide
Sebin Devasia a, Sadasivan Shaji a b, D.A. Avellaneda a b, J.A. Aguilar Martinez a c, B. Krishnan a b
a Facultad de Ingeniería Mecanica y Electrica, Universidad Autónoma de Nuevo León, Mexico, Nuevo León, San Nicolás de los Garza, Mexico
b Centro de Innovacion, Investigacion y Desarrollo en Ingeniería y Tecnología (CIIDIT)- Universidad Autonoma de Nuevo Leon, Parque de Investigacion e Innovacion Tecnologica (PIIT), México, Cd Apodaca, N.L., México, Ciudad Apodaca, Mexico
c Centro de Investigacion e Innovacion en Ingeniería Aeronautica (CIIIA), Facultad de Ingeniería Mecanica y Electrica, Mexico, Carretera a Salinas Victoria, Ciudad Apodaca, Mexico
International Conference on Hybrid and Organic Photovoltaics
Proceedings of Online International Conference on Hybrid and Organic Photovoltaics (OnlineHOPV20)
Online, Spain, 2020 May 26th - 29th
Organizers: Tracey Clarke, James Durrant, Annamaria Petrozza and Trystan Watson
Poster, Sebin Devasia, 074
Publication date: 22nd May 2020
ePoster: 

The layered bismuth tri-iodide (BiI3) perovskite has various intriguing semiconducting properties. It has a rich structural diversity in the inorganic framework arising from the different degrees of distortion of bismuth iodide octahedra. Taking advantage of the intermediate bandgap, high density, and high effective atomic number, it has been used for room temperature gamma-ray detection, scintillation and x-ray digital imaging. In addition, the material has also found potential applications in photodetectors, LEDs and perovskite solar cells. Herein we present the computational studies as well as experimental results of BiI3 thin film obtained via a scalable ultrasonic spray cast route. The density functional calculations reveal the nature of electronic states contributing to the formation of bandgap in correlation with the experimental results.

The authors acknowledge the economic support from Consejo Nacional de Ciencia y Tecnología, Mexico (CONACYT) through a project (No: C.B. 284800) for the present research. Sebin Devasia is grateful to CONACYT, Mexico for the doctoral fellowship.

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