Tuning the work function of VO2(1Â 0Â 0) surface by Ag adsorption and incorporation: Insights from first-principles calculations

- After adsorption, there is a charge transfer from Ag to VO2(1 0 0) surface, which thus increases the electron concentration in VO2 thin film.
- Ag adsorption on VO2(1 0 0) surface process is an exothermic chemical process, and the adsorption system is stable.
- The work function can be tuned by Ag adsorption on and incorporation into the VO2(1 0 0) surface, which in turn regulates the phase transition temperature of VO2.