Konu "3d-transition metals" için Matematik ve Fen Bilimleri Eğitimi Bölümü Koleksiyonu listeleme

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3d-transition metals (Cu, Fe, Mn, Ni, V and Zn)-doped pentacene π-conjugated organic molecule for photovoltaic applications: DFT and TD-DFT calculations

Muz, İskender (Elsevier, 2020-01-09)

In this study, we have performed a thorough examination of density functional theory (DFT) and time-dependent (TD) DFT to investigate the structural and optoelectronic properties of 3d-transition metals (Cu, Fe, Mn, Ni, V ...