The role of terminal groups in electronic structures and related properties: The case of push-pull porphyrin dye sensitizers for solar cells

Computational and Theoretical Chemistry

Volumn 1039, Issue , 2014, Pages 62-70

  Zhang, Cai Rong ^a   Han, Li Heng ^a   Zhe, Jian Wu ^b   Jin, Neng Zhi ^b   Shen, Yu Lin ^b   Gong, Ji Jun ^a   Zhang, Hai Min ^a   Chen, Yu Hong ^a   Liu, Zi Jiang ^c  

^a LANZHOU UNIVERSITY OF TECHNOLOGY   (China)

^b Gansu Computing Center   (China)

^c LANZHOU CITY UNIVERSITY   (China)

Author keywords

Density functional theory; Dye sensitizers; Electronic structures; Push pull porphyrins; Substitution effects

Indexed keywords

EID: 84901422048     PISSN: 2210271X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.comptc.2014.04.035     Document Type: Article

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