Phosphorus and Yttrium Codoped Co(OH)F Nanoarray as Highly Efficient and Bifunctional Electrocatalysts for Overall Water Splitting

Zhang, Gengwei; Wang, Bin; Li, Lü; Yang, Shengchun

doi:10.1002/smll.201904105

Cited by 51 publications

(25 citation statements)

References 49 publications

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“…After the revelation in monoatomic single-layered form phosphorene, − it gained significance owing to its optoelectronic properties, − high charge-carrier mobility, , and ability to be exfoliated with different thicknesses ranging between 3 and 40 nm. Hence, a set of band gaps from 0.3–2.0 eV is observed depending on thickness. , BP finds its applications in several fields, such as surface electrocatalysis , and photocatalysis, − for its tunable band gap. As the application of BP involves several aqueous-phase systems, it is essential to understand the interaction of water molecules with the surface of BP.…”

Section: Introductionmentioning

confidence: 99%

Aqueous Affinity and Interfacial Dynamics of Anisotropic Buckled Black Phosphorous

Priyadarsini

Mallik

2021

J. Phys. Chem. B

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The structure of black phosphorous (BP) is similar to the honeycomb arrangement of graphene, but the layered BP is found to be buckled and highly anisotropic. The buckled surface structure affects interfacial molecule mobility and plays a vital role in various nanomaterial applications. The BP is also known for wettability, droplet formation, stability, and hydrophobicity in the aqueous environment. However, there is a gap concerning the structural and dynamical behavior of water molecules, which is available in abundance for other monoatomic and polyatomic two-dimensional (2D) materials. Motivated by the technological importance, we try to bridge the gap by explaining the surface anisotropy-facilitated behavior of water molecules on bilayer BP using classical and first principles molecular dynamics (MD) simulations. From our classical MD study, we find three distinct layers of water molecules. The water layer closest to the interface is L1, followed by L2 and L3/bulk perpendicular to the BP surface. Water molecules in the L1 layer experience some structural disintegration in hydrogen bond (HB) phenomena compared to the bulk. There is a loss of HB donor–acceptor count per water molecule. The average HB count decreases because of an elevated rate of HB formation and deformation; this would affect the dynamic properties in terms of HB lifetime. Therefore, we observe the reduced lifetime of HB in the layer in close contact with BP, which again complements our finding on the diffusion coefficient of water molecules in distinct layers. Water diffuses relatively faster with diffusion coefficient 3.25 × 10–9 m2 s–1 in L1, followed by L2 and L3. The BP layer shows moderate hydrophobic nature. Our results also indicate the anisotropic behavior as the diffusion along the x-direction is faster than that along the y-direction. The gap in the slope of the x and y components of mean-squared displacement (MSD) complements the pinning effect in an aqueous environment. We observe blue-shifted and red-shifted libration and O-H stretching modes from the calculated power spectra for the L1 water molecules compared to the L2 and L3 molecules from first principles MD simulations. Our analysis may help understand the physical phenomena that occur during the surface wetting of the predroplet formation process observed experimentally.

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Section: Introductionmentioning

confidence: 99%

Aqueous Affinity and Interfacial Dynamics of Anisotropic Buckled Black Phosphorous

Priyadarsini

Mallik

2021

J. Phys. Chem. B

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“…Introduction of a third metal element (e.g., Cr, Cu, Ni, or W) into the Fe–Co oxyhydroxide system can enhance the conductivity, thus accelerating the water oxidation procedure. It has been reported that the codoping of yttrium and phosphorus into Co(OH)F would tune electronic environment and expedite electron transfer, thus improving OER performance . The coating of spherical Ni(OH) 2 with Y(OH) 3 would improve the charge acceptability of Ni(OH) 2 at elevated temperature .…”

Section: Introductionmentioning

confidence: 99%

Charge-Transfer Effects in Fe–Co and Fe–Co–Y Oxides for Electrocatalytic Water Oxidation Reaction

Zhang

Ning

Guan

2019

ACS Appl. Energy Mater.

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Electrocatalytic water splitting is a feasible method to store solar, wind, and water energy in the form of hydrogen fuel. However, the sluggish oxygen evolution reaction (OER) limits the energy efficiency. It is urgent to develop high-efficiency and cost-effective OER catalysts with ample active sites and excellent durability. Herein, we adopted a facile sol–gel method to synthesize a ternary amorphous iron–cobalt–yttrium oxide. The introduction of yttrium to the iron–cobalt composite oxide can improve the dispersion of iron and cobalt to provide more active sites for OER. In addition, the addition of yttrium significantly improves the charge transfer ability of iron–cobalt–yttrium oxide and enhances the OER performance with a low overpotential of 241, 263, and 214 mV at 10 mA cm–2 on a glassy carbon electrode, Pt electrode, and Ni foam, respectively.

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“…S1 show a 3D network architecture characterized by hierarchical nanosheet arrays that endows the SA-Ru/ Co(OH)F with a large specific surface area. The 3D network architecture provides more exposed active sites and favors the contact of electrode materials with electrolyte, as well as benefits the diffusion of reactants and release of produced gas in numerous 3D cavities; all these advantages greatly contribute to improving the activity and reaction kinetics of OER [29,30]. Fig.…”

Section: Resultsmentioning

confidence: 99%

Three-dimensional hierarchical Co(OH)F nanosheet arrays decorated by single-atom Ru for boosting oxygen evolution reaction

et al. 2020

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Electronic coupling with the support plays a crucial role in boosting the intrinsic catalytic activity of a single-atom catalyst. Herein, the three-dimensional (3D) hierarchical Co(OH)F nanosheet arrays modified by singleatom Ru (SA-Ru/Co(OH)F) are prepared by a facile one-step hydrothermal method under mild conditions, which exhibit excellent activity with an overpotential of 200 and 326 mV at 10 and 500 mA cm −2 , respectively, as well as robust stability for oxygen evolution reaction (OER) in 1.0 mol L −1 KOH electrolyte. The study of electronic structures and surface chemical states before and after OER testing reveals that the strong electronic coupling between single-atom Ru and Co(OH)F induces the charge redistribution in SA-Ru/Co(OH)F and suppresses the excessive oxidation of Ru into higher valence state (more than +4) under high OER potential. This work provides a strategy to stabilize single-atom Ru by Co(OH)F that can enhance the activity and durability for OER under large current densities.

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Phosphorus and Yttrium Codoped Co(OH)F Nanoarray as Highly Efficient and Bifunctional Electrocatalysts for Overall Water Splitting

Cited by 51 publications

References 49 publications

Aqueous Affinity and Interfacial Dynamics of Anisotropic Buckled Black Phosphorous

Aqueous Affinity and Interfacial Dynamics of Anisotropic Buckled Black Phosphorous

Charge-Transfer Effects in Fe–Co and Fe–Co–Y Oxides for Electrocatalytic Water Oxidation Reaction

Three-dimensional hierarchical Co(OH)F nanosheet arrays decorated by single-atom Ru for boosting oxygen evolution reaction

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