Exploring the local work function of metallic materials at the nanoscale: the influence of neighboring phases

Phys Chem Chem Phys. 2023 Aug 30;25(34):23177-23186. doi: 10.1039/d3cp01864d.

Abstract

This paper investigates the local work function distribution of a multi-phase metal material at the nanoscale and examines how it is influenced by its surrounding components. A formula is derived to express the relationship between the local work function and neighboring phases, taking into account the solid angle they form. The study's findings indicate a positive correlation between the local work function and the neighboring phases. Experimental results, DFT calculations, and previous theories are all used to verify the study's conclusions. Additionally, this paper offers predictions for the local work functions of a second phase surrounded by a matrix. These findings have practical implications for materials research at the nanoscale and offer a bridge between DFT calculations and nanoscale experimentation.