@article{fd3fc02e93fc4af69483fcedefe07348,
title = "PH -dependence of conduction type in cuprous oxide synthesized from solution",
abstract = "The formation of native point defects in cuprous oxide, Cu2O, synthesized from solution has been studied by first-principles calculations. Although p-type conduction is obtained in Cu2O synthesized from vacuum regardless of copper-rich or oxygen-rich conditions, intrinsically n-type Cu2O without doping can be grown in a strong acidic environment from solution. Our calculations show that both n-type and p-type Cu2O can be obtained depending on the solution pH value, which are in good agreement with our experimental results.",
author = "Weichao Wang and Dangxin Wu and Qiming Zhang and Longcheng Wang and Meng Tao",
note = "Funding Information: This research was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, and Division of Materials Sciences and Engineering under Award No. DE-SC0002062. The computational work was done at the High Performance Computing Center of the University of Texas at Arlington. Some of us (W.W. and Q.Z) benefited from discussions with Su-huai Wei and C. G. Van de Walle. FIG. 1. Formation energies as a function of Fermi level for native point defects in Cu 2 O under (a) O-rich and (b) Cu-rich conditions in vacuum-based growth. The zero point of the Fermi level corresponds to the top the of the valence band. Only segments corresponding to the lowest-energy charge states are shown. The slope of these segments indicates the charge. Kinks in the curves indicate transitions between different charge states. FIG. 2. Formation energies of native point defects in the solution growth environment from a strong base to a strong acid condition. The slope of these segments indicates the charge state. Panels (a), (b), and (c) show a change in the dominant defect, from acceptors ( V Cu , O i , and O Cu ) to donors ( V O , Cu i , and Cu O ) as the chemical potential of copper atom increases, i.e., the solution becomes more acidic. FIG. 3. Mott–Schottky plots of Cu 2 O deposited electrochemically at decreasing p H values, i.e., (a) 10.0, (b) 8.0, and (c) 6.8. The negative slope in (a) indicates p-type, and the positive slope in (c) suggests n-type. Both positive and negative slopes are observed in (b), revealing amphoteric conduction. ",
year = "2010",
month = jun,
day = "15",
doi = "10.1063/1.3452383",
language = "English (US)",
volume = "107",
journal = "Journal of Applied Physics",
issn = "0021-8979",
publisher = "American Institute of Physics",
number = "12",
}