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Enhanced catalytic activity in strained chemically exfoliated WS 2 nanosheets for hydrogen evolution

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TLDR
Analyses indicate that the enhanced electrocatalytic activity of WS₂ is associated with the high concentration of the strained metallic 1T (octahedral) phase in the as-exfoliated nanosheets.
Abstract
Efficient evolution of hydrogen via electrocatalysis at low overpotentials is promising for clean energy production. Monolayered nanosheets of chemically exfoliated WS2 are shown to be efficient catalysts for hydrogen evolution at very low overpotentials. The enhanced catalytic performance is associated with the high concentration of the strained metallic octahedral phase in the exfoliated nanosheets.

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SnS2 quantum dots growth on MoS2: Atomic-level heterostructure for electrocatalytic hydrogen evolution

TL;DR: In this paper, the incorporation of heterophase SnS2 quantum dots into the basal plane of molybdenum disulfide (MoS2) to form atomic-level heterostructure is reported.
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Ni/NiO heterostructures encapsulated in oxygen-doped graphene as multifunctional electrocatalysts for the HER, UOR and HMF oxidation reaction

TL;DR: In this paper, a universal, controlled scalable arc-discharge method was proposed to produce Ni/NiO nanoparticles encapsulated in graphene as multifunctional catalysts for the hydrogen evolution reaction (HER), urea oxidation reaction (UOR), and 5-hydroxymethylfurfural (HMF) oxidation reaction.
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Regulating Phase Conversion from Ni 3 Se 2 into NiSe in a Bifunctional Electrocatalyst for Overall Water-Splitting Enhancement.

TL;DR: This phase conversion control strategy provides a new way to improve the catalytic activity of NiSe and may have potential use in the design of other selenide electrocatalysts.
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Tungsten boride: a 2D multiple Dirac semimetal for the hydrogen evolution reaction

TL;DR: In this paper, a two-dimensional tungsten boride (WB4) lattice was proposed for the adsorption of atomic hydrogen (ΔGH) tending to the ideal value (0 eV) at the 3% strained state.
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.
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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.
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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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Atomically thin MoS2: a new direct-gap semiconductor

TL;DR: The electronic properties of ultrathin crystals of molybdenum disulfide consisting of N=1,2,…,6 S-Mo-S monolayers have been investigated by optical spectroscopy and the effect of quantum confinement on the material's electronic structure is traced.
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Single-layer MoS2 transistors

TL;DR: Because monolayer MoS(2) has a direct bandgap, it can be used to construct interband tunnel FETs, which offer lower power consumption than classical transistors, and could also complement graphene in applications that require thin transparent semiconductors, such as optoelectronics and energy harvesting.
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