Browsing by Author "Goktas, Fahrettin"

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Experimental and theoretical studies of the structural, electronic and optical properties of BCzVB organic material

Kurban, Mustafa; Gunduz, Bayram; Goktas, Fahrettin (ELSEVIER GMBH, 2019)

1,4-Bis[2-(3-N-ethylcarbazoryl)-vinyl]benzene (BCzVB) organic molecule in different solvents have been performed to explore its electronic structure and photophysical properties using solution technique and quantum chemistry ...
A study of structural phase transitions and optoelectronic properties of perovskite-type hydride MgFeH3: ab initio calculations

Kurban, Mustafa; Kurkcu, Cihan; Yamcicier, Cagatay; Goktas, Fahrettin (IOP PUBLISHING LTD, 2019)

In this study, the structural phase transition and optoelectronic properties of perovskite-hydride MgFeH3 under high pressure have been performed by ab initio calculations based on GGA-PBE functional. The phase transitions ...