Identifying Charge Transfer Mechanisms across Semiconductor Heterostructures via Surface Dipole Modulation and Multiscale Modeling

By Pekarek, Ryan T.; Kearney, Kara; Simon, Benjamin M.; Ertekin, Elif; Rockett, Angus A.; Rose, Michael J.
Published in Journal of the American Chemical Society 2018

Abstract

The design and fabrication of stable and efficient photoelectrochemical devices requires the use of multifunctional structures with complex heterojunctions composed of semiconducting, protecting, and catalytic layers. Understanding charge transport across such devices is challenging due to the interplay of bulk and interfacial properties. In this work, we analyze hole transfer across n-Si(111)

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