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All Journal Jurnal Kimia Mulawarman
Digva Willyan
Mulawarman university
Chemistry

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STUDI KOMPUTASI SEMIBUCKMINSTERFULLERENE SEBAGAI PENYIMPAN HIDROGEN MENGGUNAKAN METODE PERHITUNGAN DENSITY FUNCTIONAL THEORY. Digva Willyan; Rahmat Gunawan; Veliyana Londong Allo
JURNAL KIMIA MULAWARMAN Vol 17 No 2 (2020)
Publisher : Jurusan Kimia Fakultas Matematika dan Ilmu Pengetahuan Alam Universitas Mulawarman

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.30872/jkm.v17i2.716

Abstract

Hydrogen is an alternative energy source for fossil fuels. One of molecules that have an ability to store hydrogen is Semibuckminsterfullerene. This study was conducted to find out the optimum distance in adding hydrogen and the phenomenon of energy produced when adding hydrogen from 10 molecules to 100 molecules. Semibuckminsterfullerene was calculated using Density Functional Theory method, B3LYP with a basis set of 6-31G*. The optimum distance of Semibuckminsterfullerene with hydrogen was 3 ? Furthermore, the results of adding hydrogen from 10 to 100 molecules showed a decrease in energy due to the bowl-shaped structure of Semibuckminsterfullerene
Co-Authors Rahmat GUnawan Veliyana Londong Allo