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Computational Study of Structural an...

Boinapally, Vamshidhar Rao.

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Computational Study of Structural and Electrical Properties of Methylammonium Lead Iodide Perovskite.

Record Type:	Electronic resources : Monograph/item
Title/Author:	Computational Study of Structural and Electrical Properties of Methylammonium Lead Iodide Perovskite./
Author:	Boinapally, Vamshidhar Rao.
Description:	81 p.
Notes:	Source: Masters Abstracts International, Volume: 55-02.
Contained By:	Masters Abstracts International55-02(E).
Subject:	Electrical engineering. -
Online resource:	http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=1603662
ISBN:	9781339232430

Computational Study of Structural and Electrical Properties of Methylammonium Lead Iodide Perovskite.
Boinapally, Vamshidhar Rao.

Computational Study of Structural and Electrical Properties of Methylammonium Lead Iodide Perovskite. - 81 p.

Source: Masters Abstracts International, Volume: 55-02.

Thesis (M.S.)--The University of Toledo, 2015.

Methyl ammonium lead iodide perovskite (CH3NH3PbI 3) plays an important role in light absorption in perovskite solar cells. The main aim of this thesis is to investigate the structural and electrical properties of cubic and tetragonal phases of CH3NH3PbI 3. The optimized structure and minimum energy lattice constants of relaxed cubic unit cells were initially computed. The most stable orientation of methylammonium cation was found to be in the [1 1 -1] direction. This directional preference is described by bonding analysis of the atomic cage of PbI3 with the C&equiv;N dimer. The variation of c/a ratio with the distortion angle of PbI6 underlies the understanding of the transition from the cubic to the tetragonal phase.

ISBN: 9781339232430Subjects--Topical Terms:

649834
Electrical engineering.

Computational Study of Structural and Electrical Properties of Methylammonium Lead Iodide Perovskite.
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020 $a 9781339232430
035 $a (MiAaPQ)AAI1603662
035 $a AAI1603662
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100 1 $a Boinapally, Vamshidhar Rao. $3 3192454
245 1 0 $a Computational Study of Structural and Electrical Properties of Methylammonium Lead Iodide Perovskite.
300 $a 81 p.
500 $a Source: Masters Abstracts International, Volume: 55-02.
500 $a Adviser: Sanjay V. Khare.
502 $a Thesis (M.S.)--The University of Toledo, 2015.
520 $a Methyl ammonium lead iodide perovskite (CH3NH3PbI 3) plays an important role in light absorption in perovskite solar cells. The main aim of this thesis is to investigate the structural and electrical properties of cubic and tetragonal phases of CH3NH3PbI 3. The optimized structure and minimum energy lattice constants of relaxed cubic unit cells were initially computed. The most stable orientation of methylammonium cation was found to be in the [1 1 -1] direction. This directional preference is described by bonding analysis of the atomic cage of PbI3 with the C&equiv;N dimer. The variation of c/a ratio with the distortion angle of PbI6 underlies the understanding of the transition from the cubic to the tetragonal phase.
520 $a For the equilibrium structures band structures and effective masses were computed. The computed effective masses of both holes and electrons of CH 3NH3PbI3 are comparable to the widely used silicon in commercial inorganic solar cells. These results describe the light absorption nature of methylammonium lead iodide perovskite and its importance in future solar cell technology.
590 $a School code: 0232.
650 4 $a Electrical engineering. $3 649834
650 4 $a Condensed matter physics. $3 3173567
690 $a 0544
690 $a 0611
710 2 $a The University of Toledo. $b College of Engineering. $3 3174065
773 0 $t Masters Abstracts International $g 55-02(E).
790 $a 0232
791 $a M.S.
792 $a 2015
793 $a English
856 4 0 $u http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=1603662