Search

The molecular polarizabilities of 20 cobaltocene derivatives have been calculated using a new empirical approach based on the square of the sum of the atomic hybrid components (ahc), namely α (ahc) = 4 N (Σ A τ A) (Å)3. Where the summation proceeds over all atoms A=1,2,3, upto N, and N is the total number of electrons in the molecule. Common trends and patterns of behavior are recognized and discussed. The results have been compared with those calculated by using Lippincott & Stutman's method. [ABSTRACT FROM AUTHOR]

The atomic, bond and molecular polarizabilities of some nickelocene derivatives have been calculated using variational method and delta-function electronic wave functions. The bonding in nickelocenes has been investigated through the polarizability properties. The results from the nickelocenes derivatives have been correlated with the corresponding substituted benzenes. Scales have been presented, where the derivatives are classified in order of their polarization properties Common trends and patterns of behavior are recognized and discussed. The reported results are in good agreement with experimental values. [ABSTRACT FROM AUTHOR]

Research on sustainable energy is assisted by a variety of structural and functional materials that have advanced during the past ten years. Functional materials are very effective in the physical processes, whereas structural materials provide the functionality of load support. With the innovative development in the material's electrical, magnetic, optical, or chemical capabilities, multifunctional structures and gadgets are used in a wide variety of applications. Graphene (2D material) to create nanocomposite materials is mostly used functional material, to improve the conductivity and reproducibility of the cathode material. Structural materials are having their limitations hence dense anode materials are used to avoiding such issues like converting, alloy and dealloying process. Ionic liquids for electrochemical energy storages are still under research, although the Lithium-ion batteries (LiBs) are providing a considerable level of power storage and power potential. This chapter examines the role and technology of nanomaterials from its inception to prospective developments in the future for sustainable energy. [ABSTRACT FROM AUTHOR]