Transferable highly (001)-oriented textured ferroelectric BaTiO3 thin films have been achieved on a graphene monolayer for wearable devices like sensors and actuators for future “Internet of Things” era.

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Exploring the bonding features between organics and actinide elements is a fundamental topic in nuclear waste separation. In this work, [AnO2(C2O4) n ](2n−2)– (An = U, Np, Pu, and Am; n = 1–3) complexes have been characterized by density functional theory. The actinyl oxalate complexes are found to exhibit the typical An–Oyl, An–Oeq bonds and Oyl–An–Oyl angles. Interatomic interaction analyzed by electron density difference, charge decomposition analysis, charges population, bond order, electron localization function, and quantum theory of atom in molecules indicates that An–Oeq bonds are ionic (closed-shell) bonding interaction with a small degree of covalent character. The similarities and differences between isomers have been discussed in the actinide coordination chemistry, and the orbital interactions also have been investigated through total, partial, and overlap population density of state diagrams. Besides, the electrostatic potential was used to predict the adsorption sites on the molecular vdW surface.

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