Study on kinetic energy of a novel metal composite for anode catalyst in direct methanol fuel cell

Abstract

SUMMARYPlatinum (Pt) is the most commonly used catalyst in fuel cell systems because of its high efficiency. However, pure Pt is poisoned by carbon monoxide, which is an intermediate reaction product in fuel cell systems. Although PtRu alloys are considered to be promising anodic catalysts for commercial direct methanol fuel cells (DMFC), they are limited by slow reaction kinetics, which reduces the performance of the fuel cells and increases cost. Thus, the main objective of this study is to investigate the addition of potential metals to PtRu, specifically, nickel, Ni, and iron, Fe, to improve the reaction kinetics. This study analyzes the nano-catalyst structures using Materials Studio DMol3. The adsorption energy, free energy, vibrational frequencies and total electronic charge density were also calculated as a function of ground-state properties using the density functional theory (DFT). The simulation results indicate that PtRuNiFe has the potential to improve the performance of the catalyst due to the lower calculated adsorption energies and the presence of Fe 2+ and Ni 2+ ions, which increases the electron density. Finally, this study concludes that PtRuFeNi/multi-walled carbon nanotube (MWCNT) shows a comparable performance to PtRu. However, it is observed that PtRuFeNi/MWCNT is more stable and has a higher reaction rate than PtRu.

Analisis Tenaga Bebas dan Sifat Mangkin PtRuFeNi untuk Sel Fuel Metanol Langsung (DMFC) Tunggal

“…Melalui kaedah pengkomputeran juga, kadar tenaga kinetik ditentukan (Basri et al 2015). Daripada keputusan kajian ini, dapat diketahui secara terperinci tenaga kinetik yang digunakan semasa tindak balas berlaku.…”

Phosphotungstic acid‐Titania loaded polyaniline nanocomposite as efficient methanol electro‐oxidation catalyst in fuel cells

“…Therefore, it could be a better alternative system for the high-priced platinum-based catalyst. 30,31 To overcome the abovementioned limitations, the non-noble metal oxides such as TiO 2 , SnO 2 , MnO 2 , and CeO 2 can be used. [32][33][34][35][36][37][38] Among these metal oxides, titanium dioxide (TiO 2 is known as Titania) is the significant subsidiary electrocatalyst, for the reason that TiO 2 nanoparticle has unique physical and chemical properties such as higher surface area, mechanical flexibility, excellent stability, bandgap (3.2 eV), abundant availability, eco-friendly, and low-cost material.…”

“…In this specific area of research, one of the significant challenges in developing an economically non‐noble metal‐based anode catalyst for methanol oxidation. Therefore, it could be a better alternative system for the high‐priced platinum‐based catalyst 30,31 . To overcome the above‐mentioned limitations, the non‐noble metal oxides such as TiO 2 , SnO 2 , MnO 2 , and CeO 2 can be used 32‐38 .…”

Synthesis of in situ N‐, S‐, and B‐doped few‐layer graphene by chemical vapor deposition technique and their superior glucose electrooxidation activity

“…However, fossil fuels will be exhausted in future and these fossil fuel exhausts lead to environmental hazards 3 Thus, fuel cells have gained great importance in recent years due to increasing energy need-related population and growing industry. [5][6][7][8][9][10][11][12][13][14] Direct glucose fuel cell (DGFC) is also an energy device converting chemical energy into electrical energy. [5][6][7][8][9][10][11][12][13][14] Direct glucose fuel cell (DGFC) is also an energy device converting chemical energy into electrical energy.…”

“…4 In addition, fuel cells are energy devices employing renewable energy sources clean, efficient, and promising for the future. [5][6][7][8][9][10][11][12][13][14] Direct glucose fuel cell (DGFC) is also an energy device converting chemical energy into electrical energy. Glucose (C 6 H 12 O 6 ) is the most abundant monosaccharide in nature.…”