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Kusuma, Theresia Sita and Emdeniz, Emdeniz and Arief, Syukri (2014) PENGARUH LOGAM Li PADA ADSORPSI ATOM-ATOM H OLEH PFRMUKAAN GRAFENA PLANAR. Jurnal Riset Kimia . ISSN 1978-628X

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Graphene has future prospect for electronics. By adding some substituent this material can be tuned to behave like a metal or scmiconductor. In this investigation, a planar single layer of modified graphene, C24H12-mLim (m = 0. 3, 6, and 12) consisted of seven six-member rings was used to adsorb the oncoming hydrogen (perpendicular to the surface, was defined as Had). A planar twolayer graphenc C43H24 (7+7) was also included. To determine the adsorption models and the Had couverage, a semiempiris Calzafcrri program, works on pentium 4 windows 98. was used to optimize nHad (n = 1, 2, and 3) that reached the surfaces. The heat of Had adsorption and the band gap of the surfaces were also computed. Results of these computations showed that (I) the adsorption process was endothermic and Li reduced the heat of Had adsorption on the surfaces. (2) Li reduced the band gap of the surfaces, so C24H12 was a semiconductor but C24Li12 a conductor. (3) The adsorbed nHad always lowered the band gap of the surfaces, in exception of C;,Li1; could be lower or higher. (4) Each atom on the surfaces, in exception hydrogen, might adsorb nU,J formed tilted (with C) and lying down (wilt Li) surface complexes, and for C2JFf Lia an asymmetric twofold complex was also observed. (5) However, the Had couverage was low, some Had formed H2 and this was not observed on C24H6Li6. (6) The C48H24 kept an H2 molecule between layers. Thus, a new material C24H22. which had two adsorption models. Might increase the Had couverage. but had lower conductivity than that of C24H22. On the other hand, it is necessary to study in more details the hydrogen storage between graphene layers. Key rvordc: grapheme, cuisorption, substintent

Item Type: Article
Subjects: Q Science > QD Chemistry
Unit atau Lembaga: Fakultas MIPA > Kimia
Paca Sarjana > Doktor > Fakultas MIPA > Kimia
Fakultas MIPA > Kimia
Depositing User: ST Irwan Kurniawan
Date Deposited: 22 Jun 2010 07:37
Last Modified: 31 Aug 2015 02:28

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