Konu "Structural transition" için Matematik ve Fen Bilimleri Eğitimi Bölümü listeleme

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Electronic structures and bonding of graphdiyne and its BN analogs: Transition from quasi-planar to planar sheets

Muz, İskender (Elsevier, 2020-12-15)

We demonstrate a possible structural transition from graphdiyne (GDY) to boron nitride (BN)-diyne (C90-18n(BN)9nH18; n = 0-5) sheets using the density functional theory (DFT). The aim of this study is to investigate the ...