Adjustment of alkali element incorporations in Cu(In,Ga)Se-2 thin films with wet chemistry Mo oxide as a hosting reservoir

Thin film Cu(In,Ga)Se-2 solar cells remain one of the most promising devices for commercial photovoltaic panels. Aimed at high quality absorber film, alkali elements such as sodium and potassium incorporation can improve the crystal structure and electrical properties of the Cu(In,Ga)Se-2 film. However, the precise control on sodium content as well as the incorporation mechanisms is yet comprehensively understood. We propose a facile wet chemistry oxidation approach for large area homogeneous Mo oxidation and allow for uniform sodium incorporation in a controllable manner. Eventually the oxidized Mo substrate in an optimal condition leads to a relative increase of 8% of conversion efficiency in the final solar device compared with the non-oxidized sample. We thoroughly examine the surface chemistry of the Mo substrate with X-ray photoelectron spectroscopy after a systematic H2O2 oxidation treatment. A qualitative analysis show that the predominant Mo trioxides as a reservoir can adjust alkali elements contents in Cu(in,Ga)Se-2 films. Upon oxidation, the narrowing down of Mo grain boundaries has now suppressed the over sufficient sodium incorporation compared to uncontrolled diffusion from soda lime glass. Also, the emergence of potassium element in the thin film improves the electrical properties. Thermodynamic calculation indicate that the K2MoO4 as an intermediate from K2O and MoO3 reaction is a preferable reaction path compared the Na2O reaction and thus enhanced potassium ion diffusion. We have correlate the sodium contents by simply adjusting the H2O2 treatment time to improved Cu(InGa)Se-2 film qualities, e.g., crystal structures, grain sizes, charge carrier concentrations and defect densities.