Arca, E; Kehoe, AB; Veal, TD; Shmeliov, A; Scanlon, DO; Downing, C; Daly, D; ... Watson, GW; + view all Arca, E; Kehoe, AB; Veal, TD; Shmeliov, A; Scanlon, DO; Downing, C; Daly, D; Mullarkey, D; Shvets, IV; Nicolosi, V; Watson, GW; - view fewer (2017) Valence band modification of Cr2O3 by Ni-doping: creating a high figure of merit p-type TCO. Journal of Materials Chemistry C , 5 (47) pp. 12610-12618. 10.1039/c7tc03545d.

Preview	Text (Published article) c7tc03545d.pdf - Published Version Download (3MB) | Preview
Preview	Text (Supplementary information) Arca_Valence_band_modification_Suppl.pdf Download (5MB) | Preview

Abstract

p-Type transparent conductors and semiconductors still suffer from remarkably low performance compared to their more widespread n-type counterparts, despite extensive investigation into their development. In this contribution, we present a comparative study on the defect chemistry of potential p-type transparent conducting oxides Mg-doped and Ni-doped Cr 2 O 3 . Conductivities as high as 28 S cm -1 were achieved by Ni-doping. By benchmarking crystallography and spectroscopy characterization against density functional theory calculations, we show that the incorporation of Ni into Cr 2 O 3 contributes to the composition of the valence band, making the formed holes more delocalized, while Mg states do not interact with the valence band in Mg-doped Cr 2 O 3 . Furthermore, it is experimentally proven that Ni has a higher solubility in Cr 2 O 3 than Mg, at least in the highly non-thermodynamic deposition conditions used for these experiments, which directly translates into a higher acceptor concentration. The combination of these two effects means that Ni is a more effective acceptor in Cr 2 O 3 than Mg and explains the improved conductivity observed for the former.

Download activity - last month

Export as XMLJSONCSV

Download activity - last 12 months

Export as XMLCSVJSON

Downloads by country - last 12 months

Export as XMLJSONCSV

Archive Staff Only

View Item