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Molybdenum-Ruthenium-Carbon Solid-Solution Alloy Nanoparticles: Can They Be Pseudo-Technetium Carbide?

Shinya OkazoeKohei KusudaYukihiro YoshidaMitsuhiko MaesatoTomokazu YamamotoTakaaki ToriyamaSyo MatsumuraShogo KawaguchiYoshiki KubotaYusuke NanbaSusan Meñez AsperaMichihisa KoyamaHiroshi Kitagawa
Published in: Journal of the American Chemical Society (2023)
Technetium (Tc), atomic number 43, is an element that humans cannot freely use even in the 21st century because Tc is radioactive and has no stable isotope. In this report, we present molybdenum-ruthenium-carbon solid-solution alloy (Mo x Ru 1- x C y ) nanoparticles (NPs) that are expected to have an electronic structure similar to that of technetium carbide (TcC y ). Mo x Ru 1- x C y NPs were synthesized by annealing under a helium/hydrogen atmosphere following thermal decomposition of metal precursors. The obtained NPs had a solid-solution structure in the whole composition range. Mo x Ru 1- x C y with a cubic structure (down to 30 atom % Mo in the metal ratio) showed a superconducting state, and the transition temperature ( T c ) increased with increasing Mo composition. The continuous change in T c across that of TcC y indicates the continuous control of the electronic structure by solid-solution alloying, leading to pseudo-TcC y . Density functional theory calculations indicated that the synthesized Mo 0.53 Ru 0.47 C 0.41 has a similar electronic structure to TcC 0.41 .
Keyphrases
  • density functional theory
  • molecular dynamics
  • oxide nanoparticles
  • energy transfer
  • molecular dynamics simulations