STUDI SEMIEMPIRIS STRUKTUR MOLEKUL DAN BAND GAP MONOMER DAN DIMER 1,3,4 TIADIAZOL DAN DERIVATNYA
Abstract: In order to know the
possibility of compounds and their derivative for semiconductor material,
moleculer structure and band gap (Eg) of these compounds need to
be studied. This work included 1,3,4 tiadiazole and 1,3,4 tiadiazole derivative
with –C≡N and –C≡CH substituents. Each compounds was optimized by Calzaferri
methods. The calculation results show that monomers and dimers 1,3,4 tiadiazole
and thair derivative have Eg in the range of 2.89760 eV to 4.35801 eV. These compounds has
potential for basis of material organic semiconductor.
Penulis: Emdeniz
Kode Jurnal: jpkimiadd100187
