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Ab Initio Study of the Effects of Humidity on Perovskite Based Hybrid Solar Cell Interfaces

Rachalwar, Shantanu Rajendra
http://rave.ohiolink.edu/etdc/view?acc_num=wright1513964888018447

Abstract Details

2017, Master of Science in Renewable and Clean Energy Engineering (MSRCE), Wright State University, Renewable and Clean Energy.
Despite the impressive success of perovskite-based hybrid solar cells, their widespread usage has been limited partially owing to stability issues under working environmental conditions. Among these, the effects of humidity are some of the most significant. Water intercalation generally degrades the material, shortens its useful life, and reduces the efficiency of photovoltaic energy conversion. Understanding the reasons for these effects can be achieved through detailed and accurate atomic-scale analysis. Here, we study water intercalation at the interfaces of perovskite-based hybrid solar cell material and TiO2 electrode. Accurate ab initio computer simulations are used to obtain structural and electronic properties. We systematically investigate interfacial geometry and determine the most stable configurations for different orientations of TiO2 (001) surface and different layers of hybrid organic-inorganic tetragonal perovskite lead Iodide. We also determine water adsorption characteristic on reconstructed TiO2 and hybrid perovskite surfaces. These are then used to obtain the most stable interfacial configurations upon water intercalation. Based on the obtained electronic properties we compare interface functionality with and without water and discuss consequent effects on solar cell performance.
Amir Farajian, Ph.D. (Advisor)
Hong Huang, Ph.D. (Committee Member)
Nikolai Priezjev, Ph.D. (Committee Member)
70 p.
Mechanical Engineering
Mechanical engineering; perovskite; hybrid solar cells

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Citations

  • Rachalwar, S. R. (2017). Ab Initio Study of the Effects of Humidity on Perovskite Based Hybrid Solar Cell Interfaces [Master's thesis, Wright State University]. OhioLINK Electronic Theses and Dissertations Center. http://rave.ohiolink.edu/etdc/view?acc_num=wright1513964888018447

    APA Style (7th edition)

  • Rachalwar, Shantanu. Ab Initio Study of the Effects of Humidity on Perovskite Based Hybrid Solar Cell Interfaces. 2017. Wright State University, Master's thesis. OhioLINK Electronic Theses and Dissertations Center, http://rave.ohiolink.edu/etdc/view?acc_num=wright1513964888018447.

    MLA Style (8th edition)

  • Rachalwar, Shantanu. "Ab Initio Study of the Effects of Humidity on Perovskite Based Hybrid Solar Cell Interfaces." Master's thesis, Wright State University, 2017. http://rave.ohiolink.edu/etdc/view?acc_num=wright1513964888018447

    Chicago Manual of Style (17th edition)

wright1513964888018447
500
© 2017, all rights reserved.
This open access ETD is published by Wright State University and OhioLINK.