Rizal Arifin, Yoyok Winardi, Zulkarnain, Abdurrouf, Darminto, Norhasnidawani Johari, Ali Selamat
Using catalytic methane decomposition techniques to produce H2 could advance renewable energy development. Selecting the proper catalyst for this method is essential for efficient hydrogen production. We used reactive molecular simulations to examine methane's decomposition reaction and the formation of H2 molecules on a Ni (1 1 0) surface. The results show that the dissociation of H atoms on Ni (1 1 0) surfaces produced H2 molecules. The reaction reached saturation because the Ni (1 1 0) surface was covered by methane fragments. These exhibited enhanced adsorption as the H atoms’ dissociation intensified. As the number of hydrogen atoms bonded to methane fragments decreased, the adsorption energy of methane fragments decreased. © 2024 Wiley-VCH GmbH.
Department of Mechanical Engineering, Universitas Muhammadiyah Ponorogo, Jl. Budi Utomo No. 10, Ponorogo, 63471, Indonesia; Department of Physics Education, Universitas Muhammadiyah Mataram, Jl. KH. Ahmad Dahlan No. 1, Mataram, 83115, Indonesia; Department of Physics, Brawijaya University, Jl. Veteran, Malang, 65145, Indonesia; Department of Physics, Institut Teknologi Sepuluh Nopember, Kampus ITS Sukolilo, Surabaya, 60111, Indonesia; Malaysia-Japan International Institute of Technology, Universiti Teknologi Malaysia, Jalan Sultan Yahya Petra, Kuala Lumpur, 54100, Malaysia
