Theoretical study of astatine adsorption on gold nanoparticle

Advances in medical science in the field of radiotherapy have allowed for internal treatment of cancer using radioactive materials. Astatine-211 ( 211 At) is one of such materials that decays to release alpha-particles, which is touted to be more effective than the current beta-radiating particles for internal radiotherapy purposes. Its use requires some form of a carrier material, one of which is in the form of gold nanoparticles, which can hold other substances such as targeting compounds, etc. A series of theoretical studies have been conducted to look into the adsorption states of astatine on gold to support existing experimental results. We found that astatine adsorption on gold nanoparticle varies among the different local surface environments present on the nanoparticle, with the (100) facet of the nanoparticle providing the most stable adsorption site. This study can help us understand how the local surface environment of gold nanoparticles influences astatine adsorption and its electronic interactions with gold.