Nikolas Kaltsoyannis

2 weeks ago | nature.com | John Seed |Floriana Tuna |Ashley J. Wooles |Nikolas Kaltsoyannis

AbstractQuantum-confined nanoclusters can be described by the jellium model, which emphasizes closed-shell electron configurations, but an open-shell variation with jellium aromaticity has been proposed. Such clusters are termed superatoms because they behave like an atom, and they exhibit unusual properties.

Nov 5, 2024 | chemistry-europe.onlinelibrary.wiley.com | Stephen Liddle |Nikolas Kaltsoyannis

Introduction Molecular actinide–actinide bonding is a rare phenomenon compared with the widely researched area of metal–metal bonding in transition metal chemistry.1 Examples of experimentally prepared systems featuring actinide–actinide bonds include the gas-phase diatomics U2, U2− and Th2,2 the hydrides U2H2 and U2H4 in frozen matrices,3 the endohedral metallofullerenes U2@Ih(7)-C80 and Th2@Ih(7)-C80,4 and the polymeric tri-thorium cluster5 [{Th(η8-C8H8)(μ3-Cl)2}3{K(THF)2}2]∞ (3, using the...

Mar 4, 2024 | pubs.rsc.org | Ryan Dempsey |Nikolas Kaltsoyannis

Computational study of the interactions of tetravalent actinides (An = Th–Pu) with the α-Fe13 Keggin cluster† In recent years, evidence has emerged that actinide (An) uptake at the enhanced actinide removal plant (EARP) at the UK's Sellafield nuclear site occurs via An interactions with an α-Fe13 Keggin molecular cluster during ferrihydrite formation.

Dec 14, 2023 | pubs.rsc.org | Sophie Guillemot |Ady Suwardi |Nikolas Kaltsoyannis |Jonathan M. Skelton

Impact of crystal structure on the lattice thermal conductivity of the IV-VI chalcogenides We present a detailed comparative study of the lattice thermal conductivity κlatt of ten reported phases of the IV-VI chalcogenides GeSe, GeTe, SnSe and SnTe, calculated within the single-mode relaxation-time approximation based on third-order interatomic force constants.