Theoretical insights to tune the surface dipoles and work functions of halide perovskites

National audience; Lead halide perovskites have attracted considerable interest owing to their rich physics and rapidly burgeoning applications in the field of optoelectronic devices. Therefore, an accurate theoretical description of the link between surface dipoles and the work functions, especially to understand the interface effects in this class of materials is of scientific and practical interest. Herein, we briefly introduce our methodology that accentuates the relation between the surface dipoles and the work functions using concepts from classical physics combined with the state-of-the-art first-principles calculations.