Computational and experimental design of active and durable Ir-based nanoalloy for electrochemical oxygen reduction reaction
Tài liệu tham khảo
Ou, 2015, Design of pd-based bimetallic catalysts for ORR: a DFT calculation study, J. Chem., 11
Tjong, 2011, Polymer nanocomposite bipolar plates reinforced with carbon nanotubes and graphite nanosheets, Energy Environ. Sci., 4, 605, 10.1039/c0ee00689k
Shao, 2016, Recent advances in electrocatalysts for oxygen reduction reaction, Chem. Rev., 116, 3594, 10.1021/acs.chemrev.5b00462
Lee, 2013, Reversible surface segregation of Pt in a Pt3Au/C catalyst and its effect on the oxygen reduction reaction, J. Phys. Chem. C, 117, 9164, 10.1021/jp403135k
Kim, 2015, Effect of gold subsurface layer on the surface activity and segregation in Pt/Au/Pt3M (where M=3d transition metals) alloy catalyst from first-principles, J. Chem. Phys., 142, 10.1063/1.4905919
Fernandez, 2005, Pd-Ti and Pd-Co-Au electrocatalysts as a replacement for platinum for oxygen reduction in proton exchange membrane fuel cells, J. Am. Chem. Soc., 127, 13100, 10.1021/ja0534710
Jiang, 2015, Core/shell face-centered tetragonal FePd/Pd nanoparticles as an efficient non-Pt catalyst for the oxygen reduction reaction, ACS Nano, 9, 11014, 10.1021/acsnano.5b04361
Wang, 2013, PdNi hollow nanoparticles for improved electrocatalytic oxygen reduction in alkaline environments, ACS Appl. Mater. Interfaces, 5, 12708, 10.1021/am404090n
Slanac, 2012, Atomic ensemble and electronic effects in Ag-rich AgPd nanoalloy catalysts for oxygen reduction in alkaline media, J. Am. Chem. Soc., 134, 9812, 10.1021/ja303580b
Holewinski, 2014, High-performance Ag-Co alloy catalysts for electrochemical oxygen reduction, Nat. Chem., 6, 828, 10.1038/nchem.2032
Wang, 2009, Oxygen reduction on well-defined core-shell nanocatalysts: particle size, facet, and Pt Shell thickness effects, J. Am. Chem. Soc., 131, 17298, 10.1021/ja9067645
Suo, 2007, First-principles considerations in the design of Pd-alloy catalysts for oxygen reduction, Angew. Chem. Int. Ed., 46, 2862, 10.1002/anie.200604332
Strasser, 2010, Lattice-strain control of the activity in dealloyed core-shell fuel cell catalysts, Nat. Chem., 2, 454, 10.1038/nchem.623
Greeley, 2009, Combinatorial density functional theory-based screening of surface alloys for the oxygen reduction reaction, J. Phys. Chem. C, 113, 4932, 10.1021/jp808945y
Guo, 2013, Tuning nanoparticle catalysis for the oxygen reduction reaction, Angew. Chem. Int. Ed., 52, 8526, 10.1002/anie.201207186
To, 2017, High-performance oxygen reduction and evolution carbon catalysis: from mechanistic studies to device integration, Nano Res., 10, 1163, 10.1007/s12274-016-1347-8
Ramirez-Caballero, 2010, Surface segregation and stability of core-shell alloy catalysts for oxygen reduction in acid medium, Phys. Chem. Chem. Phys., 12, 2209, 10.1039/b917899f
Antolini, 2014, Iridium as catalyst and cocatalyst for oxygen evolution/reduction in acidic polymer electrolyte membrane electrolyzers and fuel cells, ACS Catal., 4, 1426, 10.1021/cs4011875
Perry, 2016, The oxygen reduction reaction (ORR) on reduced metals: evidence for a unique relationship between the coverage of adsorbed oxygen species and adsorption energy, Phys. Chem. Chem. Phys., 18, 10218, 10.1039/C6CP00106H
Ramaker, 2014, Following ORR intermediates adsorbed on a Pt cathode catalyst during break-in of a PEM fuel cell by in operando x-ray absorption spectroscopy, Phys. Chem. Chem. Phys., 16, 13645, 10.1039/C4CP00192C
Yang, 2012, Kinetics and electrocatalytic activity of IrCo/C catalysts for oxygen reduction reaction in PEMFC, Int. J. Hydrog. Energy, 37, 2447, 10.1016/j.ijhydene.2011.09.154
Cheng, 2014, Enhancing oxygen reduction reaction activity of Pt-shelled catalysts via subsurface alloying, Phys. Chem. Chem. Phys., 16, 20377, 10.1039/C4CP02863E
Ou, 2013, Comparative study of oxygen reduction reaction mechanisms on the Pd(111) and Pt(111) surfaces in acid medium by DFT, J. Phys. Chem. C, 117, 1342, 10.1021/jp309094b
Kresse, 2001
Perdew, 1996, Generalized gradient approximation made simple, Phys. Rev. Lett., 77, 3865, 10.1103/PhysRevLett.77.3865
Blöchl, 2005, Electronic structure methods: augmented waves, pseudopotentials and the projector augmented wave method, 93
Greeley, 2009, Alloys of platinum and early transition metals as oxygen reduction electrocatalysts, Nat. Chem., 1, 552, 10.1038/nchem.367
Tsai, 2015, DFT study of oxygen reduction reaction on Os/Pt core–shell catalysts validated by electrochemical experiment, ACS Catal., 5, 1568, 10.1021/cs501020a
Lim, 2012, Mechanisms of the oxygen reduction reaction on defective graphene-supported Pt nanoparticles from first-principles, J. Phys. Chem. C, 116, 3653, 10.1021/jp210796e
Zhang, 2005, Platinum monolayer on nonnoble metal−noble metal core−shell nanoparticle electrocatalysts for O2 reduction, J. Phys. Chem. B, 109, 22701, 10.1021/jp055634c
Zhang, 2013, Design of Pt-shell nanoparticles with alloy cores for the oxygen reduction reaction, ACS Nano, 7, 9168, 10.1021/nn403788a
Dhouib, 2012, DFT study of the M segregation on MAu alloys (M=Ni, Pd, Pt) in presence of adsorbed oxygen O and O2, Chem. Phys. Lett., 521, 98, 10.1016/j.cplett.2011.11.050
Kitchin, 2004, Role of strain and ligand effects in the modification of the electronic and chemical properties of bimetallic surfaces, Phys. Rev. Lett., 93, 156801, 10.1103/PhysRevLett.93.156801
Mavrikakis, 1998, Effect of strain on the reactivity of metal surfaces, Phys. Rev. Lett., 81, 2819, 10.1103/PhysRevLett.81.2819
Cho, 2014, Importance of ligand effect in selective hydrogen formation via formic acid decomposition on the bimetallic Pd/Ag catalyst from first-principles, J. Phys. Chem. C, 118, 22553, 10.1021/jp5050817
Ham, 2013, Communication: enhanced oxygen reduction reaction and its underlying mechanism in Pd-Ir-Co trimetallic alloys, J. Chem. Phys., 139, 201104, 10.1063/1.4837176
Henkelman, 2006, A fast and robust algorithm for Bader decomposition of charge density, Comp. Mater. Sci., 36, 354, 10.1016/j.commatsci.2005.04.010
Wang, 2011, Design and synthesis of bimetallic electrocatalyst with multilayered Pt-Skin surfaces, J. Am. Chem. Soc., 133, 14396, 10.1021/ja2047655
Wang, 2014, Pt skin on AuCu intermetallic substrate: a strategy to maximize Pt utilization for fuel cells, J. Am. Chem. Soc., 136, 9643, 10.1021/ja503315s
Segets, 2012, Determination of the quantum dot band gap dependence on particle size from optical absorbance and transmission electron microscopy measurements, ACS Nano, 6, 9021, 10.1021/nn303130d