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Nickel supported on nitrogen-doped carbon nanotubes as hydrogen oxidation reaction catalyst in alkaline electrolyte

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TLDR
A composite catalyst, nickel nanoparticles supported on nitrogen-doped carbon nanotubes, has hydrogen oxidation activity similar to platinum-group metals in alkaline electrolyte and shows significant potential for use in low-cost, high-performance fuel cells.
Abstract
The development of a low-cost, high-performance platinum-group-metal-free hydroxide exchange membrane fuel cell is hindered by the lack of a hydrogen oxidation reaction catalyst at the anode. Here we report that a composite catalyst, nickel nanoparticles supported on nitrogen-doped carbon nanotubes, has hydrogen oxidation activity similar to platinum-group metals in alkaline electrolyte. Although nitrogen-doped carbon nanotubes are a very poor hydrogen oxidation catalyst, as a support, it increases the catalytic performance of nickel nanoparticles by a factor of 33 (mass activity) or 21 (exchange current density) relative to unsupported nickel nanoparticles. Density functional theory calculations indicate that the nitrogen-doped support stabilizes the nanoparticle against reconstruction, while nitrogen located at the edge of the nanoparticle tunes local adsorption sites by affecting the d-orbitals of nickel. Owing to its high activity and low cost, our catalyst shows significant potential for use in low-cost, high-performance fuel cells.

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Recommended Practices and Benchmark Activity for Hydrogen and Oxygen Electrocatalysis in Water Splitting and Fuel Cells.

TL;DR: The specific and mass activity activities of some state-of-the-art catalysts are benchmarked to facilitate the comparison of catalyst activity for these four reactions across different laboratories.

Alkaline Polymer Electrolyte Fuel Cells Completely Free From Noble Metal Catalysts

TL;DR: In this paper, a type of polymer electrolyte fuel cells (PEFC) employing a hydroxide ion-conductive polymer, quaternary ammonium polysulphone, as alkaline electrolyte and nonprecious metals, chromium-decorated nickel and silver, as the catalyst for the negative and positive electrodes, respectively.
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The recent development of efficient Earth-abundant transition-metal nanocatalysts

TL;DR: This review highlights catalysis by NPs of Earth-abundant transition metals that include Mn, Fe, Co, Ni, Cu, early transition metals (Ti, V, Cr, Zr, Nb and W) and their nanocomposites with emphasis on basic principles and literature reported during the last 5 years.
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A Theory/Experience Description of Support Effects in Carbon-Supported Catalysts.

TL;DR: Some answers are provided to the question "How and why anchoring metal nanoparticles, clusters, or single atoms on carbon materials for catalysis?", and some important effects in catalysis inherent to the presence of a carbon-type support are described.
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Advances and challenges in alkaline anion exchange membrane fuel cells

TL;DR: In this article, a general description of the setup of AAEMFCs running on hydrogen and physical and chemical processes occurring in multi-layered porous structure is presented, and the effects of anode and cathode ionomers, structural designs, and water flooding on the performance of the single-cell are explained, and durability and power output of a singlecell are summarized.
References
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Journal ArticleDOI

Projector augmented-wave method

TL;DR: An approach for electronic structure calculations is described that generalizes both the pseudopotential method and the linear augmented-plane-wave (LAPW) method in a natural way and can be used to treat first-row and transition-metal elements with affordable effort and provides access to the full wave function.
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From ultrasoft pseudopotentials to the projector augmented-wave method

TL;DR: In this paper, the formal relationship between US Vanderbilt-type pseudopotentials and Blochl's projector augmented wave (PAW) method is derived and the Hamilton operator, the forces, and the stress tensor are derived for this modified PAW functional.
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Special points for brillouin-zone integrations

TL;DR: In this article, a method for generating sets of special points in the Brillouin zone which provides an efficient means of integrating periodic functions of the wave vector is given, where the integration can be over the entire zone or over specified portions thereof.
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Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

TL;DR: A detailed description and comparison of algorithms for performing ab-initio quantum-mechanical calculations using pseudopotentials and a plane-wave basis set is presented in this article. But this is not a comparison of our algorithm with the one presented in this paper.
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A General Method for Numerically Simulating the Stochastic Time Evolution of Coupled Chemical Reactions

TL;DR: In this paper, an exact method is presented for numerically calculating, within the framework of the stochastic formulation of chemical kinetics, the time evolution of any spatially homogeneous mixture of molecular species which interreact through a specified set of coupled chemical reaction channels.
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