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First-principles calculations to investigate the effect of Van der Waals interactions on the crystal and electronic structures of tin-based 0D hybrid perovskites

The electronic structures of four tin-based 0D hybrid perovskites ((NH3(CH2)(2)C6H5)(2)SnCl6], (C6H10N2)SnCl6], (C9H14N)(2)SnCl6], and (C8H12N)(2)SnCl6]) were determined by the DFT method employing the pseudopotential plane wave as implemented in the CASTEP code, and the first transition in each com...

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書誌詳細
主要な著者:	Ferjani, Hela, Ben Smida, Youssef, Al-Douri, Yarub
フォーマット:	論文
出版事項:	MDPI 2022
主題:	QD Chemistry
オンライン･アクセス:	http://eprints.um.edu.my/40844/
タグ:	タグ追加タグなし, このレコードへの初めてのタグを付けませんか!

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