Insights on the extraordinary tolerance to alcohols of Fe-N-C cathode catalysts in highly performing direct alcohol fuel cells

Nano Energy - Tập 34 - Trang 195-204 - 2017
David Sebastián1, Alexey Serov2, Ivana Matanović2,3, Kateryna Artyushkova2, Plamen Atanassov2, A.S. Aricò1, Vincenzo Baglio1
1Istituto di Tecnologie Avanzate per l’Energia “Nicola Giordano” (ITAE), Consiglio Nazionale delle Ricerche (CNR), Via Salita S. Lucia Sopra Contesse 5, 98126, Messina, Italy
2Department of Chemical and Biological Engineering and Center for Micro-Engineered Materials, Advanced Materials Laboratory, University of New Mexico, Albuquerque, NM 87106, USA
3Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM 87545 USA

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Tài liệu tham khảo

Aricò, 2005, Nanostructured materials for advanced energy conversion and storage devices, Nat. Mater., 4, 366, 10.1038/nmat1368

Chu, 2012, Opportunities and challenges for a sustainable energy future, Nature, 488, 294, 10.1038/nature11475

Li, 2013, Review and advances of direct methanol fuel cells (DMFCs) part I: design, fabrication, and testing with high concentration methanol solutions, J. Power Sources, 226, 223, 10.1016/j.jpowsour.2012.10.061

Zhao, 2011, Recent advances in catalysts for direct methanol fuel cells, Energy Environ. Sci., 4, 2736, 10.1039/c1ee01307f

Nie, 2015, Recent advancements in Pt and Pt-free catalysts for oxygen reduction reaction, Chem. Soc. Rev., 44, 10.1039/C4CS00484A

Allendorf, 2016, Oxygen reduction reaction: a framework for success, Nat. Energy, 1, 16058, 10.1038/nenergy.2016.58

Sgroi, 2016, Cost analysis of direct methanol fuel cell stacks for mass production, Energies, 9, 1008, 10.3390/en9121008

Kamarudin, 2013, Review: direct ethanol fuel cells, Int. J. Hydrog. Energy, 38, 9438, 10.1016/j.ijhydene.2012.07.059

Song, 2004, Direct methanol fuel cells: methanol crossover and its influence on single DMFC performance, Ionics, 10, 458, 10.1007/BF02378008

Song, 2005, Ethanol crossover phenomena and its influence on the performance of DEFC, J. Power Sources, 145, 266, 10.1016/j.jpowsour.2004.12.065

Kowal, 2009, Ternary Pt/Rh/SnO2 electrocatalysts for oxidizing ethanol to CO2, Nat. Mater., 8, 325, 10.1038/nmat2359

Lefèvre, 2009, Iron-based catalysts with improved oxygen reduction activity in polymer electrolyte fuel cells, Science, 324, 71, 10.1126/science.1170051

Proietti, 2011, Iron-based cathode catalyst with enhanced power density in polymer electrolyte membrane fuel cells, Nat. Commun., 2, 1, 10.1038/ncomms1427

Gasteiger, 2009, Just a dream--or future reality?, Science, 324, 48, 10.1126/science.1172083

Chen, 2011, A review on non-precious metal electrocatalysts for PEM fuel cells, Energy Environ. Sci., 4, 3167, 10.1039/c0ee00558d

Jaouen, 2011, Recent advances in non-precious metal catalysis for oxygen-reduction reaction in polymer electrolyte fuelcells, Energy Environ. Sci., 4, 114, 10.1039/C0EE00011F

Sebastián, 2016, Performance analysis of a non-platinum group metal catalyst based on iron-aminoantipyrine for direct methanol fuel cells, Appl. Catal. B Environ., 182, 297, 10.1016/j.apcatb.2015.09.043

Sebastián, 2016, Performance, methanol tolerance and stability of Fe-aminobenzimidazole derived catalyst for direct methanol fuel cells, J. Power Sources, 319, 235, 10.1016/j.jpowsour.2016.04.067

Sebastián, 2016, High performance and cost-effective direct methanol fuel cells: Fe-N-C methanol-tolerant oxygen reduction reaction catalysts, ChemSusChem, 9, 1986, 10.1002/cssc.201600583

Serov, 2015, Nano-structured non-platinum catalysts for automotive fuel cell application, Nano Energy, 16, 293, 10.1016/j.nanoen.2015.07.002

Perdew, 1996, Generalized gradient approximation made simple, Phys. Rev. Lett., 77, 3865, 10.1103/PhysRevLett.77.3865

Perdew, 1997, Generalized gradient approximation made simple, Phys. Rev. Lett., 78, 1396, 10.1103/PhysRevLett.78.1396

Blöchl, 1994, Projector augmented-wave method, Phys. Rev. B, 50, 17953, 10.1103/PhysRevB.50.17953

Kresse, 1999, From ultrasoft pseudopotentials to the projector augmented-wave method, Phys. Rev. B, 59, 1758, 10.1103/PhysRevB.59.1758

Kresse, 1993, Ab initio molecular dynamics for liquid metals, Phys. Rev. B, 47, 558, 10.1103/PhysRevB.47.558

Kresse, 1994, Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium, Phys. Rev. B, 49, 14251, 10.1103/PhysRevB.49.14251

Kresse, 1996, Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set, Comput. Mater. Sci., 6, 15, 10.1016/0927-0256(96)00008-0

Kresse, 1996, Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set, Phys. Rev. B, 54, 11169, 10.1103/PhysRevB.54.11169

Monkhorst, 1976, Special points for Brillouin-zone integrations, Phys. Rev. B, 13, 5188, 10.1103/PhysRevB.13.5188

Blöchl, 1994, Improved tetrahedron method for Brillouin-zone integrations, Phys. Rev. B, 49, 16223, 10.1103/PhysRevB.49.16223

Aricò, 2014, Synthesis of Pd3Co1@Pt/C core-shell catalysts for methanol-tolerant cathodes of direct methanol fuel cells, Chem. – A Eur. J., 20, 10679, 10.1002/chem.201402062

Lufrano, 2012, Design of efficient methanol impermeable membranes for fuel cell applications, Phys. Chem. Chem. Phys., 14, 2718, 10.1039/c2cp23477g

Osmieri, 2017, Performance of a Fe-N-C catalyst for the oxygen reduction reaction in direct methanol fuel cell cathode formulation optimization and short-term durability, Appl. Catal. B Environ., 201, 253, 10.1016/j.apcatb.2016.08.043

Kattel, 2012, Stability, electronic and magnetic properties of in-plane defects in graphene: a first-principles study, J. Phys. Chem. C, 116, 8161, 10.1021/jp2121609

Kattel, 2014, A density functional theory study of oxygen reduction reaction on non-PGM Fe-Nx-C electrocatalysts, Phys. Chem. Chem. Phys., 16, 13800, 10.1039/c4cp01634c

Jiao, 2014, Origin of the electrocatalytic oxygen reduction activity of graphene-based catalysts: a roadmap to achieve the best performance, J. Am. Chem. Soc., 136, 4394, 10.1021/ja500432h

Sidik, 2006, O2 reduction on graphite and nitrogen-doped graphite: experiment and theory, J. Phys. Chem. B, 110, 1787, 10.1021/jp055150g

Antolini, 2007, Catalysts for direct ethanol fuel cells, J. Power Sources, 170, 1, 10.1016/j.jpowsour.2007.04.009

James, 2010, Effects of crossover on product yields measured for direct ethanol fuel cells, Electrochim. Acta, 55, 3824, 10.1016/j.electacta.2010.02.007

Šljivančanin, 2002, Oxygen dissociation at close-packed Pt terraces, Pt steps, and Ag-covered Pt steps studied with density functional theory, Surf. Sci., 515, 235, 10.1016/S0039-6028(02)01908-8

Anderson, 2014, Reversible potentials for steps in methanol and formic acid oxidation to CO2; adsorption energies of intermediates on the ideal electrocatalyst for methanol oxidation and CO2 reduction, Phys. Chem. Chem. Phys., 16, 10587, 10.1039/C3CP54837F

Asiri, 2014, Mechanisms for ethanol electrooxidation on Pt(111) and adsorption bond strengths defining an ideal catalyst, J. Electrochem. Soc., 162, F115, 10.1149/2.0781501jes

Hyman, 2005, Theoretical study of the adsorption and dissociation of oxygen on Pt(111) in the presence of homogeneous electric fields, J. Phys. Chem. B, 109, 6304, 10.1021/jp045155y

Li, 2016, First principles study of O2 dissociation on Pt(111) surface: stepwise mechanism, Int. J. Quantum Chem., 116, 908, 10.1002/qua.25095

Tereshchuk, 2013, Density functional investigation of the adsorption of ethanol–water mixture on the Pt(111) surface, J. Phys. Chem. C, 117, 16942, 10.1021/jp403352u

Monteverde Videla, 2016, Performance analysis of Fe–N–C catalyst for DMFC cathodes: Effect of water saturation in the cathodic catalyst layer, Int. J. Hydrog. Energy, 10.1016/j.ijhydene.2016.06.060

Antolini, 2013, Effect of the structural characteristics of binary Pt-Ru and ternary Pt-Ru-M fuel cell catalysts on the activity of ethanol electrooxidation in acid medium, ChemSusChem, 6, 966, 10.1002/cssc.201300138

Zhou, 2005, Direct ethanol fuel cells based on PtSn anodes: the effect of Sn content on the fuel cell performance, J. Power Sources, 140, 50, 10.1016/j.jpowsour.2004.08.003

Song, 2006, Recent progress in direct ethanol proton exchange membrane fuel cells (DE-PEMFCs), Appl. Catal. B Environ., 63, 187, 10.1016/j.apcatb.2005.09.018

Aricò, 2015, Selectivity of direct methanol fuel cell membranes, Membranes, 5, 793, 10.3390/membranes5040793

Nakagawa, 2012, Product distribution and the reaction kinetics at the anode of direct ethanol fuel cell with Pt/C, PtRu/C and PtRuRh/C, J. Power Sources, 199, 103, 10.1016/j.jpowsour.2011.10.057

Wang, 2008, High performance direct ethanol fuel cell with double-layered anode catalyst layer, J. Power Sources, 117, 142, 10.1016/j.jpowsour.2007.11.040

Zignani, 2012, Performance and selectivity of PtxSn/C electro-catalysts for ethanol oxidation prepared by reduction with different formic acid concentrations, Electrochim. Acta, 70, 255, 10.1016/j.electacta.2012.03.055

Rousseau, 2006, Direct ethanol fuel cell (DEFC): electrical performances and reaction products distribution under operating conditions with different platinum-based anodes, J. Power Sources, 158, 18, 10.1016/j.jpowsour.2005.08.027

Serov, 2016, Highly stable precious metal-free cathode catalyst for fuel cell application, J. Power Sources, 327, 557, 10.1016/j.jpowsour.2016.07.087

Piela, 2004, Ruthenium crossover in direct methanol fuel cell with Pt-Ru black anode, J. Electrochem. Soc., 151, A2053, 10.1149/1.1814472