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Abstracts Book - IMRC 2018

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perovskites. Our results show a regular tendency in the conventional and in the<br />

supercell models such as lattice parameters (b/a and c/a ratios), volume (per<br />

conventional unit cell) and total energy, except the bandgap (the difference in<br />

order of 1 eV).<br />

Keywords: FAPbI3 perovskite solar cells, first-principles calculations, van der Waals<br />

interaction<br />

Presenting authors email: s.karthick.dsc@gmail.com

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