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Journal : Unesa Journal of Chemistry

KARAKTERISASI TEORITIS SEMIKONDUTOR SILICON NANOTUBE ARMCHAIR MENGGUNAKAN METODE DFT AMILIA, RIESKA
Unesa Journal of Chemistry Vol 5, No 3 (2016): Volume 5, Nomer 3, 2016
Publisher : Unesa Journal of Chemistry

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Abstract

Abstrak. Telah dilakukan kaji teoritis dalam menentukan celah energi dari silicon nanotube armchair. Penelitian ini menggunakan metode komputasi dengan Teori Fungsi Kerapatan (DFT) pada bassis set TZV2P (Triple Zeta Valence 2 Polarization). Silicon nanotube armchair (8,8-10,10) memiliki celah energi 2,745512eV, 2,402662eV, 2,323422eV. Bentuk silicon nanotube armchair lebih stabil. Silicon nanotube armchair stabil dikarenakan Orbital Pz mengalami tumpang tindih electron dengan sangat baik. Silicon nanotube armchair memiliki kecenderungan sifat semikonduktor tipe-p Kata kunci : silicon nanotube, celah energy, semiconductor   Abstract. Theoretical studies have been conducted to determine the energy gap of armchair silicon nanotubes and zig-zag silicon nanotube. This study uses computational methods with Density Function Theory (DFT) on the bassist set TZV2P (Triple Zeta Valence 2 Polarization). Armchair silicon nanotubes (8.8 to 10.10) has the energy gap 2,745512eV, 2,402662eV, 2,323422eV, zig-zag silicon. Armchair silicon nanotubes is more stable. Armchair silicon nanotubes are stable because Pz orbitals has a good overlap. Silicon armchair nanotubes have a tendency p-type semiconductor Key words : silicon nanotube, band gap, semiconductor