First-Principles Study of Zinc Phthalocyanine Molecules Adsorbed on Methylammonium Lead Iodide Surfaces

2020 ◽  
Vol 124 (9) ◽  
pp. 5167-5173
Author(s):  
Helin Qin ◽  
Li Xu ◽  
Dingyong Zhong
Keyword(s):  
First Principles ◽  
Zinc Phthalocyanine ◽  
Lead Iodide ◽  
First Principles Study ◽  
Methylammonium Lead Iodide

First-principles investigation of the Lewis acid–base adduct formation at the methylammonium lead iodide surface

2018 ◽  
Vol 20 (16) ◽  
pp. 11183-11195 ◽  
Author(s):  
Giacomo Giorgi ◽  
Koichi Yamashita ◽  
Hiroshi Segawa
Keyword(s):  
Lewis Acid ◽  
First Principles ◽  
Adduct Formation ◽  
Lead Iodide ◽  
Acid Base ◽  
Methylammonium Lead Iodide ◽  
Base Formation

Theoretical insights into the mechanism of Lewis acid–base formation at the surface of methylammonium lead iodide (MAPbI3).

First-Principles Study of Lead Iodide Perovskite Tetragonal and Orthorhombic Phases for Photovoltaics

2014 ◽  
Vol 118 (34) ◽  
pp. 19565-19571 ◽  
Author(s):  
Wei Geng ◽  
Le Zhang ◽  
Yan-Ning Zhang ◽  
Woon-Ming Lau ◽  
Li-Min Liu
Keyword(s):  
First Principles ◽  
Lead Iodide ◽  
First Principles Study

scholarly journals Mixed Formamidinium-Methylammonium Lead Iodide perovskite from first-principles: Hydrogen-bonding impact on the electronic properties

2021 ◽  
Author(s):  
Maximiliano Alejandro Senno ◽  
Silvia Tinte
Keyword(s):  
Hydrogen Bonding ◽  
Electronic Properties ◽  
First Principles ◽  
Organic Cations ◽  
Lead Iodide ◽  
Improved Stability ◽  
Methylammonium Lead Iodide

Hybrid perovskites with mixed organic cations such as methylammonium (CH3NH3, MA) and formamidinium (CH(NH2)2, FA) have attracted interest due to their improved stability and capability to tune their properties varying...

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