Implications of coordination chemistry to cationic interactions in honeycomb layered nickel tellurates
Computational Materials Science(2022)
摘要
Rendition: The honeycomb lattice of cations in A2Ni2TeO6 and their respective coordinations with oxygen atoms as found by Density Functional Theory (DFT) calculations.
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关键词
Density functional theory,Honeycomb layered frameworks,Coordination chemistry,Metallophilic interactions,Monolayer-bilayer phase transition
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