Lastri, Dita (2020) Studi Komputasi Pengaruh Posisi Doping Atom Nitrogen pada Grafena Sebagai Adsorben pada Zat Warna Metilen Biru. Other thesis, Institut Teknologi Sepuluh Nopember.
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Abstract
Grafena mampu menjadi salah satu adsorben yang baik dalam mengadsorpsi zat warna. Doping nitrogen pada grafena telah banyak dikembangkan karena dapat mengubah distribusi elektron pada grafena serta membuka bandgapnya. Penelitian ini memfokuskan bagaimana pengaruh doping nitrogen pada grafena terhadap adsorpsi zatwarna metilen biru. Hasil dari penelitian didapatkan bahwa diantara N-grafena yang terbentuk, grafena N-kuarterner merupakan yang paling stabil dengan energi sebesar -2018547,953 kkal/mol. Setelah dilakukan penggabungan zat warna dengan grafena, diketahui bahwa zat warna metilen biru lebih mudah teradsorpsi dengan posisi horizontal terhadap grafena. Diantara empat jenis grafena yaitu grafena murni, grafena N-kuarterner, grafena N-piridinik, dan grafena N-pirolik, yang paling disukai oleh zat warna metilen biru sebagai adsorben adalah grafena N-pirolik dengan jarak ikat 4,001 Å serta energi -114205,022 kkal/mol.
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Graphene is one of the good adsorbent in adsorbing dyes. Nitrogen doping in graphene has been widely developed because it can change the distribution of electrons in graphene and opening the bandgap. This study focuses on the effect of nitrogen doping on graphene on the adsorption of methylene blue dyes. The results of the study found that among the N-graphene formed, N-quaternary graphene is the most stable with the energy 2018547,953 kcal / mol. After combining dyes with graphene, it is known that methylene blue dyes are more easily adsorbed in a horizontal position to graphene. Among the four types of graphene, namely pure graphene, N-quaternary graphene, N pyridinic graphene, and N-pyrolic graphene, the most preferred by blue methylene dyes as adsorbents are N-pyrolic graphene with a bonding distance of 4,001 Å and energy -114205,022 kcal / mol.
| Item Type: | Thesis (Other) |
|---|---|
| Additional Information: | RSKi 541.335 Las s-1 2020 |
| Uncontrolled Keywords: | adsorpsi, doping nitrogen, grafena, metilen biru |
| Subjects: | Q Science > QD Chemistry > QD547 Flocculation, precipitation, adsorption, etc. |
| Divisions: | Faculty of Science and Data Analytics (SCIENTICS) > Chemistry > 47201-(S1) Undergraduate Thesis |
| Depositing User: | Dita Lastri |
| Date Deposited: | 03 Mar 2025 07:39 |
| Last Modified: | 03 Mar 2025 07:39 |
| URI: | http://repository.its.ac.id/id/eprint/73341 |
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