A new durable and high performance platinum supported on Ag-Ni-porous coordination polymer as an anodic DMFC nano-electrocatalyst: DFT and experimental investigation

Due to the poor performance and intermediates poisoning of available catalysts in direct methanol fuel cells (DMFC), the researcher is confronted with a considerable challenge for obtaining modified electrocatalyst. Ag-Ni porous coordination polymer (ANP) as a new electrocatalyst supporter was synthesized by a hydrothermal method. To achieve favorable electrocatalyst for DMFC systems, platinum nanoparticles was deposited upon ANP by an electrochemical method and platinum supported on Ag-Ni porous coordination polymer (Pt-ANP) was formed. Fourier transform infrared spectroscopy (FTIR) analysis ensured correct synthesized of ANP and Pt-ANP. In addition, the morphologies investigation of ANP and Pt-ANP were carried out by X-ray diffraction (XRD), field emission scanning electron microscopy (FE-SEM), and transmission electron microscopy (TEM). The FE-SEM images indicate that the platinum nanoparticles have been greatly deposited on ANP surface. Electrochemical behaviors of prepared catalyst for methanol oxidation were evaluated by cyclic voltammetry (CV), linear sweep voltammetry (LSV), and chronoamperometry (CA) techniques. Electrochemical cyclic voltammetry tests (CV) indicate that the forward peak current density of Pt-ANP is about 105 mA/cm(2) which it is 33% more than the forward peak current density of pure Pt catalyst (70.21 mA/cm(2)). Moreover, electrochemical surface area (ECSA) of Pt-ANP is 26.42 m(2)/g(Pt). In addition, density functional theory (DFT) computations show that with the deposition of Pt upon ANP, the HOMO-LOMO energy gap of ANP has been decreased which they are suitable for electrochemical reactions. Theoretical results are greatly in accordance with the experiments. Based on the results, Pt-ANP could be a superior electrocatalyst for methanol oxidation. (C) 2019 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.