Transcription of Charge Redistribution at GaAs/P3HT …
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Charge Redistribution at GaAs/P3HT …
Charge Redistribution at GaAs/P3HT heterointerfaces with DifferentSurface PolarityJun Yin, Dmitri B. Migas, Majid Panahandeh-Fard, Shi Chen, Zilong Wang, Paola Lova, and Cesare Soci*, , Division of Physics and Applied Physics, School of Physical and Mathematical Sciences and Centre for Disruptive PhotonicTechnologies, Nanyang Technological University, 21 Nanyang Link, Singapore 637371 Belarusian State University of Informatics and Radioelectronics, 6 P. Browka Str., Minsk 220013, Belarus*SSupporting InformationABSTRACT:The nature of charged photoexcitations at the interface of highlydelocalized inorganic crystals and more localized conjugated polymer systems is of greatfundamental interest for a number of hybrid photovoltaic applications. Here we study theinteraction between mainstream compound semiconductor gaas and conjugated polymerP3HT by means of density functional theory simulations. When considering both nonpolarGaAs(110) and polar gaas (111)B surfaces, wefind that polarity of the gaas surfacestrongly affects the electronic orbitals and Charge Redistribution : electrons are efficientlytransferred to gaas substrates, implying the formation of hybrid delocalized states at theinterface.
Charge Redistribution at GaAs/P3HT Heterointerfaces with Different Surface Polarity Jun Yin,† Dmitri B. Migas,‡ Majid Panahandeh …
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