First Principle Calculation : Investigation on interaction of Pt/Graphene as Catalyst

International Conference on Energy Sciences 2016

能源学;物理学

Putri Namari, Nuning Anugrah^1 ; Suprijadi^1

Departement of Physics, Institut Teknologi Bandung, Indonesia^1

关键词: Calculation results;    First principle calculations;    Morphological changes;    Non-renewable energy sources;    Oxidation and reduction;    Renewable energies;    Renewable energy source;    Support materials;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/877/1/012045/pdf
DOI  :  10.1088/1742-6596/877/1/012045

来源: IOP

【 摘 要 】

The increasing in energy needs and the lack of non-renewable energy sources becomes a challenge for the human being to be able to use renewable energy sources. One of the devices to process renewable energy is Polymer Electrolyte Membrane Fuel Cell (PEMFC) . PEMFC use hydrogen and Oxygen as an energy sources . The most important reaction in fuel cell is Oxidation and reduction process. Therefore, a catalyst is needed to help the OR process. Study of catalyst shows that the most effective fuel cell for now is Platinum. Many fuel cell have use platinum as the catalyst. However, Platinum is a rare and expensive element. Therefore, to reduce the cost of fuel cell fabrication, we need to increase the activity of platinum. In this research, we use graphene as a support material. Then, we will study about the interaction of platinum on graphene and analyze its morphological change and electronic properties.The research conduct using Density Functional Theory (DFT). The calculation result shows that Pt/graphene can break H2into H+and the binding between Pt cluster is stronger than binding with the substrate.