Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 24(24), p. 14993-15002, 2022
DOI: 10.1039/d2cp01270g
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Electronic structure and interfacial features of triphenylamine- and phenothiazine-based hole transport materials for methylammonium lead iodide perovskite solar cells
Journal article published in 2022 by
Carmen Coppola 
,
Adriana Pecoraro,
Ana B. Muñoz-García ,
Rossella Infantino,
Alessio Dessì ,
Gianna Reginato,
Riccardo Basosi,
Adalgisa Sinicropi ,
Michele Pavone
,
Adriana Pecoraro,
Ana B. Muñoz-García ,
Rossella Infantino,
Alessio Dessì ,
Gianna Reginato,
Riccardo Basosi,
Adalgisa Sinicropi ,
Michele Pavone
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Abstract
The electronic properties of the recently designed HTM1 and its interface with MAPI (001) have been investigated by first-principles DFT calculations.