Kajian Struktur Elektronik Dua Fase CsPbI3 Melalui Perhitungan Dengan Menggunakan Metode Density Functional Theory (DFT)

Shanaz, Hana Ramadhani (2019) Kajian Struktur Elektronik Dua Fase CsPbI3 Melalui Perhitungan Dengan Menggunakan Metode Density Functional Theory (DFT). Diploma thesis, UIN Sunan Gunung Djati Bandung.

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Abstract

INDONESIA: Telah dilakukan Kajian mengenai Struktur Elektronik Dua Fase CsPbI3MelaluiPerhitungan dengan Menggunakan MetodeDensity Funcional Theory. Digunakanperovskit logam halida sebagai bahan penyerap cahaya pada sel surya. Bahan inimemiliki tingkat kestabilan yang tinggi serta proses fabrikasi nya yang mudah. Se-lain itu efisiensi konversi nya telah mencapai 10,1%. Dua Fase kristal yang digunak-an adalah fase kubik dan fase tetragonal.Struktur elektronik yang dibahas meliputikurva pitaelektronik, serta kurva DOS(Density of States), kurva PDOS(ProjectedDensity of States). Untuk mengetahui struktur elektronik nya dilakukan optimasiperhitungan, yaitu variasi konstanta kisi,k-point, dan energicut-off. Optimasi per-hitungan ini dilakukan untuk mendapatkan struktur dengan energi total minimumsehingga kestabilan nya bisa tercapai. Diketahui nilai energi celah pita dari CsPbI3kubik adalah 1,44eV pada kurva pita elektronik maupun DOS nya. Sedangkan un-tuk nilai energi celah pita dari CsPbI3tetragonal adalah 0,6 eV pada kurva pitaelektronik dan pada DOS nya pula. Hal ini menunjukan bahwa CsPbI3dapat digu-nakan untuk bahan semikonduktor perovskit. ENGLISH : A Study of the CsPbI3Two Phase Electronic Structure Study has been carried outThrough Calculations using Methods Density Funcional Theory. Perovskite metalhalide is used as a light-absorbing material on solar cells. This material has a highlevel of stability and easy fabrication process. In addition, the conversion efficiencyhas reached 10,1%. The two crystalline phases used are the cubic phase and thetetragonal phase. The electronic structures discussed include the bandelectroniccurve, as well as the DOS Density of States curve, the PDOS Projected Density ofStates curve. To find out the electronic structure optimization calculations, namelyvariations in lattice constants, k-points and cut-off energy . This calculation optimi-zation is done to get the structure with minimum total energy so that its stability canbe achieved. It is known that the band gap energy value of 3 cubic CsPbI3is 1.44eVon the electronic and DOS curve curves. Whereas the band gap energy value oftetragonal CsPbI3is 0.6 eV on the band curve electronics and DOS as well. Thisshows that CsPbI3can be used for perovskite semiconductor materials

Item Type: Thesis (Diploma)
Uncontrolled Keywords: CsPbI3, Kubik, Tetragonal, Energi Celah Pita, Pseudopotensial,Kisi
Subjects: Physics
Divisions: Fakultas Sains dan Teknologi > Program Studi Fisika
Depositing User: Hana Ramadhani Shanaz
Date Deposited: 25 Jun 2020 03:12
Last Modified: 25 Jun 2020 03:12
URI: https://digilib.uinsgd.ac.id/id/eprint/31417

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