Jurnal Kimia Mulawarman
Vol 17 No 2 (2020)

STUDI KOMPUTASI SEMIBUCKMINSTERFULLERENE SEBAGAI PENYIMPAN HIDROGEN MENGGUNAKAN METODE PERHITUNGAN DENSITY FUNCTIONAL THEORY.

Digva Willyan (Mulawarman university)
Rahmat Gunawan (Jurusan Kimia FMIPA Universitas Mulawarman)
Veliyana Londong Allo (Jurusan Kimia FMIPA Universitas Mulawarman)

Article Info

Publish Date
29 May 2020

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

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Journal Info
Jurnal Kimia Mulawarman
Website

Abbrev

JKM

Publisher

Universitas Mulawarman

Subject

Chemistry

Description

Journal of Kimia Mulawarman is a peer-reviewed, open access journal that publishes original research articles, review articles, as well as short communication in all areas of chemistry, including educational chemistry and applied ...