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Platinum single-atom catalyst coupled with transition metal/metal oxide heterostructure for accelerating alkaline hydrogen evolution reaction.

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TLDR
In this article, a single-atom platinum immobilized NiO/Ni heterostructure (PtSA-NiO//Ni) was developed as an alkaline hydrogen evolution catalyst.
Abstract
Single-atom catalysts provide an effective approach to reduce the amount of precious metals meanwhile maintain their catalytic activity. However, the sluggish activity of the catalysts for alkaline water dissociation has hampered advances in highly efficient hydrogen production. Herein, we develop a single-atom platinum immobilized NiO/Ni heterostructure (PtSA-NiO/Ni) as an alkaline hydrogen evolution catalyst. It is found that Pt single atom coupled with NiO/Ni heterostructure enables the tunable binding abilities of hydroxyl ions (OH*) and hydrogen (H*), which efficiently tailors the water dissociation energy and promotes the H* conversion for accelerating alkaline hydrogen evolution reaction. A further enhancement is achieved by constructing PtSA-NiO/Ni nanosheets on Ag nanowires to form a hierarchical three-dimensional morphology. Consequently, the fabricated PtSA-NiO/Ni catalyst displays high alkaline hydrogen evolution performances with a quite high mass activity of 20.6 A mg−1 for Pt at the overpotential of 100 mV, significantly outperforming the reported catalysts. While H2 evolution from water may represent a renewable energy source, there is a strong need to improve catalytic efficiencies while maximizing materials utilization. Here, authors examine single-atom Pt on nickel-based heterostructures as highly active electrocatalysts for alkaline H2 evolution.

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Journal ArticleDOI

Atomic heterointerface engineering overcomes the activity limitation of electrocatalysts and promises highly-efficient alkaline water splitting

TL;DR: In this paper, a review of the recent progress of atomic heterointerface engineering to improve the activity of electrocatalysts is presented, in which the ensemble effect is helpful in optimizing the reaction pathways with enhanced reaction kinetics and the electron effect can balance the adsorption energies of reaction intermediates by coupling their electronic configurations.
Journal ArticleDOI

Subnanometric Ru clusters with upshifted D band center improve performance for alkaline hydrogen evolution reaction

TL;DR: In this paper , a series of Ru nanocrystals from single atoms, subnanometric clusters to larger nanoparticles was synthesized, aiming at investigating the size-dependent activity of hydrogen evolution in alkaline media.
Journal ArticleDOI

Interstitial boron-triggered electron-deficient Os aerogels for enhanced pH-universal hydrogen evolution

TL;DR: In this article , boron-modulated osmium (B-Os) aerogels with rich defects and ultra-fine diameter were used as a pH-universal HER electrocatalyst, achieving small overpotentials of 12, 19, and 33 mV at a current density of 10 mA cm −2 in acidic, alkaline, and neutral electrolytes, respectively.
Journal ArticleDOI

Efficient Alkaline Water/Seawater Hydrogen Evolution by a Nanorod‐Nanoparticle‐Structured Ni‐MoN Catalyst with Fast Water‐Dissociation Kinetics

TL;DR: In this paper , a heterogeneous Ni-MoN catalyst consisting of Ni and MoN nanoparticles on amorphous MoN nanorods is demonstrated, which can sustain large-current-density HER with outstanding performance.
Journal ArticleDOI

Atomic‐Level Platinum Filling into Ni‐Vacancies of Dual‐Deficient NiO for Boosting Electrocatalytic Hydrogen Evolution

TL;DR: In this paper , a vacancy-driven Pt filling strategy was proposed to fill Ni-vacancy (Niv) sites of dual-deficient NiO (D•NiO•Pt) deliberately created by Ar plasma with homogeneously distributed Pt atoms driven by oxygen vacancies.
References
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Journal ArticleDOI

Generalized Gradient Approximation Made Simple

TL;DR: A simple derivation of a simple GGA is presented, in which all parameters (other than those in LSD) are fundamental constants, and only general features of the detailed construction underlying the Perdew-Wang 1991 (PW91) GGA are invoked.
Journal ArticleDOI

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set.

TL;DR: An efficient scheme for calculating the Kohn-Sham ground state of metallic systems using pseudopotentials and a plane-wave basis set is presented and the application of Pulay's DIIS method to the iterative diagonalization of large matrices will be discussed.
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.
Journal ArticleDOI

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.
Journal ArticleDOI

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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