ScOx rich surface terminations on lanthanide scandate nanoparticles

The lanthanide scandate materials are widely used substrates for thin film growth and the potential applications of the $Ln{\mathrm{ScO}}₃$ materials continue to grow with the recent ability to synthesize them as cuboidal faceted nanoparticles. A comprehensive understanding of the surface structure and chemistry of these oxides is essential for their informed application, either as single crystal or high surface area nanoparticle substrates. Here the ${100}$ pseudocubic surfaces of $Ln{\mathrm{ScO}}₃$ ($Ln=\mathrm{La}$, Nd, Sm, Gd) nanoparticles were examined with aberration-corrected electron microscopy and higher-level density functional theory to reveal ${\mathrm{ScO}}_x$ rich terminations across all investigated surfaces. Mixed terminations of single and double layer nature were observed, indicating the presence of multiple domains at the surface and introducing the possibility of synthetically controlling the surface reconstruction in the future.