Electronic Structure and Surface Properties of Copper Thiocyanate: A Promising Hole Transport Material for Organic Photovoltaic Cells

Electronic Structure and Surface Properties of Copper Thiocyanate: A Promising Hole Transport Material for Organic Photovoltaic Cells

Considering the significance of hexagonal copper thiocyanate (β-CuSCN) in several optoelectronic technologies and applications, it is essential to investigate its electronic structure and surface properties. Herein, we have employed density functional theory (DFT) calculations to characterise the ba...

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Bibliographic Details
Main Authors: Bonaventure A. Odeke, Gyang D. Chung, Jesutofunmi A. Fajemisin, Kabir S. Suraj, Denis K. Tonui, Ayinla R. Tobi, Thomas C. Bewaale, Jamiu A. Ajibola, Nelson Y. Dzade
Format: Article
Language:English
Published: MDPI AG 2020-12-01
Series:Materials
Subjects:
copper thiocyanate (CuSCN)
hole transport layer (HTL)
dimethyl sulfoxide (DMSO)
electronic structure
XPS valence band spectra
work function
Online Access:https://www.mdpi.com/1996-1944/13/24/5765

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https://www.mdpi.com/1996-1944/13/24/5765

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