Materials Map

Discover the materials research landscape. Find experts, partners, networks.

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The Materials Map is an open tool for improving networking and interdisciplinary exchange within materials research. It enables cross-database search for cooperation and network partners and discovering of the research landscape.

The dashboard provides detailed information about the selected scientist, e.g. publications. The dashboard can be filtered and shows the relationship to co-authors in different diagrams. In addition, a link is provided to find contact information.

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Materials Map under construction

The Materials Map is still under development. In its current state, it is only based on one single data source and, thus, incomplete and contains duplicates. We are working on incorporating new open data sources like ORCID to improve the quality and the timeliness of our data. We will update Materials Map as soon as possible and kindly ask for your patience.

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in Cooperation with on an Cooperation-Score of 37%

Topics

Publications (1/1 displayed)

  • 2018Computational Study of Perovskite Structured CH3NH3PbI3 and CH3NH3SnI34citations

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Chart of shared publication
Feng, Qi
1 / 2 shared
Nanayakkara, H. A. T. V.
1 / 1 shared
Chart of publication period
2018

Co-Authors (by relevance)

  • Feng, Qi
  • Nanayakkara, H. A. T. V.
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article

Computational Study of Perovskite Structured CH3NH3PbI3 and CH3NH3SnI3

  • Feng, Qi
  • Nanayakkara, H. A. T. V.
  • Sewvandi, Galhenage A.
Abstract

Nowadays, Hybrid Perovskite materials perform a major role in solar cell industry due to their superior power conversion ability. CH3NH3PbI3 is the prominent material in hybrid perovskite, where they comprised with advanced photovoltaic properties. But considering the toxicity, it’s more important to observe the role of metal atom in hybrid perovskite. Therefore, this research is basically focused on the objective of figuring out the fundamental properties of CH3NH3PbI3 and CH3NH3SnI3 with the idea of replacing Pb to Sn in future. Ab-Initio Simulation has been used throughout this research along with basic density function theories (DFT) like Exchange correlation functional, Local-density approximation of Kohn-Sham theory. Moreover, the research was also focused upon the Energy band gap variation, crystallographic orientations, density of states in P, S orbitals of cubic and tetragonal phases in CH3NH3PbI3 and CH3NH3SnI3.

Topics
  • density
  • perovskite
  • impedance spectroscopy
  • phase
  • theory
  • simulation
  • density functional theory
  • toxicity