Copper complex molecules as dye-sensitizers: Hybrid MetaGGA and standard + van der Waals functionals

Copper complex molecules as dye-sensitizers: Hybrid MetaGGA and standard + van der Waals functionals

This study focuses on the use of Density Functional Theory calculations with two main approaches: computational chemistry and computational physics. The following three cases were considered for the derivation: (I) computational chemistry using the M06 hybrid functional, (II) computational chemistry...

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書目詳細資料
主要作者:	Camacho Montes, Hector
其他作者:	Leyva Aizpuru, Ana Paola, Dominguez García, Rodrigo, Guzmán Pando, Abimael, Camarillo Cisneros, Javier
格式:	Artículo
語言:	English
出版:	2024
主題:	Density Functional Theory Calculations Computational chemistry Dye sensitized solar cell info:eu-repo/classification/cti/7
在線閱讀:	https://doi.org/10.1016/j.jmgm.2024.108724 https://www.sciencedirect.com/science/article/abs/pii/S109332632400024X
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