Carbon Monoxide Gas Induced 4H-to- Phase Transformation of Gold As Revealed by Transmission Electron Microscopy.

The hexagonal 4H phase gold nanostructures shows great potential for catalysis, optical, and biomedical fields. However, its phase stability remains largely unclear. Here, we report the 4H-to-face-centered cubic () phase transformation of gold induced by CO gas interactions and an electron beam observed through transmission electron microscopy ( TEM). The atomic scale transformation mechanism is revealed experimentally and supported by first-principle calculations. Density functional theory calculations show that the 4H-to- phase transformation processes via the transition of layer sliding with expanded layer spacing, which can be facilitated by both the adsorbed CO molecules and the extra electron provided by the electron beam. The transformation first takes place at the edges of the nanorods with the collective assistance of both CO and extra electrons, and then the inner portion of the bulk crystal follows with extra electrons as the lubricant. These results promote the understanding of the toxic effect of CO gas and shining light on the structural conversion and atomic migration of noble metal catalysts when they interact with CO molecules.