STUDI INTERAKSI UJUNG TERBUKA SINGLE WALLED CARBON NANOTUBE (SWCNT) DENGAN MOLEKUL NH3

AMANDA, PUTRI (2014) STUDI INTERAKSI UJUNG TERBUKA SINGLE WALLED CARBON NANOTUBE (SWCNT) DENGAN MOLEKUL NH3. Other thesis, ANDALAS UNIVERSITY.

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Abstract

ABSTRACT Interaction Studies Of An Open-Ended Single Walled Carbon Nanotube (SWCNT) With NH3 Molecules By Putri Amanda Advised by Imelda, M.Si and Emdeniz, MS Adsorption molecules of the open ended single walled Carbon nanotube (SWCNT) known can change the electronic properties of SWCNT. In this experiment, the interaction of open ended SWCNT with NH3 molecules was stuided. The experiment of the interaction of an open ended SWCNT (8.0) and (5.5) with NH3 molecule by Semiempiris AM1 of HyperChem package has been done. NH3 molecules experiecing physical and chemical interaction on open ended SWCNT. Most of molecules NH3 was adsorbed and desorption, it also occured dissociate of NH3 and adsorbed at certain position changed the structures of an open ended SWCNT. The results showed that the adsorbed of NH3 molecules can not modify the electrical conductivity of the open ended SWCNT. The range of energy gap for an open ended SWCNT (8.0) is 2,409 eV-3,2319 eV, and on the open ended SWCNT (5.5) is 2,884 eV -5,7519 eV. The calculation of bonding energy (BE) and energy adsorbs (Eads) showed that for both types of an open ended SWCNT, adsorbed of NH3 molecules caused BE and Eads increase with increasing amounts of NH3 in the drop. The adsorbed of NH3 on open ended SWCNT also caused the formation of H2, and N- 2H4. That results indicates an open ended of SWCNT being dropped as the keeper of the NH3 molecules can also act as a catalyst in the formation of H2, and N2H4. Keyword: Single Walled Carbon Nanotube (SWCNT),NH3, AM1.

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