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.
ASJC Scopus subject areas
- Physics and Astronomy(all)