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All Journal Jurnal Fisika Unand SEMIRATA 2015 Spektra: Jurnal Fisika dan Aplikasinya Communications in Science and Technology Jurdimas (Jurnal Pengabdian Kepada Masyarakat) Royal Buletin Ilmiah Nagari Membangun Jurnal Ilmu Fisika Indonesian Journal of Electrical Engineering and Computer Science BERNAS: Jurnal Pengabdian Kepada Masyarakat Warta Pengabdian Andalas: Jurnal Ilmiah Pengembangan Dan Penerapan Ipteks Indonesian Community Journal Makara Journal of Technology Indonesian Journal of Community Empowerment and Service
Meqorry Yusfi
Departemen Fisika, Fakultas Matematika Dan Ilmu Pengetahuan Alam, Universitas Andalas
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Journal : Makara Journal of Technology

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A Density Functional Theory Study on using Montmorillonite to Reduce Air Pollution Wungu, Triati Dewi Kencana; Yusfi, Meqorry; Suprijadi, Suprijadi
Makara Journal of Technology Vol. 24, No. 3
Publisher : UI Scholars Hub

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Abstract

In this study, density functional theory (DFT) method is used to investigate the possibility of using a smectite clay mineral called montmorillonite (MMT) in reducing heavy metals, such as Cd, through Cd adsorption. The mechanism of Cd adsorption in MMT is observed theoretically, and the tetrahedrally isomorphic substitution on the upper layer of MMT is considered to observe the role of Al and Fe in strengthening Cd adsorption. Two types of MMT are modeled in this study: Al-MMT and Fe-MMT. The Al-MMT means that Al substitutes one atom in the upper tetrahedral layer of MMT, while Fe-MMT means that Fe substitutes one atom in the upper tetrahedral layer of MMT. According to the DFT calculation, Cd is adsorbed relatively strongly to Al-MMT compared with Fe-MMT, with Cd adsorption energy of –4.55 eV and –2.43 eV for Al-MMT and Fe-MMT, respectively. The density-of-state analysis shows that Cd helps reduce the gap between the highest valence-band energy and lowest conduction-band energy of Al-MMT and Fe-MMT. Thus, Cd/Al-MMT and Cd/Fe-MMT behave in a manner similar to a semiconductor.
Co-Authors A. Fadhil Desafa Adhitya Firmansyah Adrial, Rico Afdal Afdal Afdal Afdal, Afdal Afdal Primanandra Afdhal Muttaqin Ahmad Fauzi Pohan Al Hamid Putra Alawiya, Tuti Alimin Mahyudin Amelia Ramadhani Adwina Anggriani, Rini Annisa Anindya Arif Budiman Asriya, Putri Astuti Astuti Astuti - Astuti - Astuti Astuti Astuti Astuti Astuti Astuti Auliya, Khairina Dahyunir Dahlan Damayanti, Elok Dedi Mardiansyah Dian Fitriyani Dian Fitriyani Dian Milvita Diego Diego Diego, Diego Dwi Pujiastuti Dwi Pujiastuti Dwi Puryanti Elistia Liza Namigo, Elistia Elvaswer Elvaswer Elvaswer Fachri Hernanda Fachri Hernanda Fahendri, F. Feriska Handayani Feriska Handayani Irka, Feriska Handayani Fiqi Diyona Firmansyah, Adhitya Frima Gandi Frima Gandi Frima Gandi, Frima Haldis Alvaro Hariza Faisal Hariza Faisal Harmadi Harmadi Harmadi Harmadi Hasibuan, Putri Berlian Hendra Saputra Hendra Saputra Herlina Nainggolan Herlina Nainggolan Hernanda, Fachri Heru Sagito Palka Heru Sagito Palka Husni, Khairiati Ilham Perdana Imam Taufik Imam Taufiq Imam Taufiq Iqbal Ramadhan Iqbal Ramadhan Isdi, Muhammad Ridho Juwita Safitri Juwita Safitri, Juwita Khairiati Husni Khairina Auliya Lestari, Yayuk M Farhan Ramadhan M. Ali Shafii M. Farhan Ramadhan Marzuki Marzuki Marzuki Marzuki Mohamad Nur Yahya Mohamad Nur Yahya Mohammad Ali Shafii Mora Mora Muhammad Arif Muhammad Arif Muhammad Iqbal Muhammad Kahfi Muhammad Kahfi Muhammad Nurul Rahman Muhammad Nurul Rahman, Muhammad Nurul Muldarisnur, Mulda Mutya Vonnisa Naela Amalia Zulfa Naela Amalia Zulfa Nini Firmawati Novi Elian Nurul Hasanah Nurwijayanti Oktarisa, Dian Olly Norita Tetra Palka, Heru Sagito Primanandra, Afdal Primas Emeraldi Puspita, Nabilla Putri Putri Asriya Putri Berlian Hasibuan Putri Puspita, Nabilla Rahmat Rasyid Rahmat Rasyid Ramacos Fardela Ramadhan, M. Farhan Rashid Muarif Irsyad Rasyid, Rahmad Rini Anggriani Siska Laila Desri Solly Aryza Sri Handani Sri Oktamuliani Sumariadi - Sumariadi - Suprijadi Suprijadi Syaza Yasmin Trengginas Eka Putra Trengginas Eka Putra Sutantyo Triati Dewi Kencana Wungu Usna, Sri Rahayu Alfitri Veithzal Rivai Zainal Vitania Yulia Wildian Wildian Wilka Putra, Wilka Yulia, Vitania Zozy Aneloi Noli Zulfi Zulfi Zulfi Abdullah