Cobalt phosphide-based electrocatalysts: synthesis and phase catalytic activity comparison for hydrogen evolution

Pan, Yuan; Lin, Yan; Chen, Yinjuan; Liu, Yunqi; Liu, Chenguang

doi:10.1039/c6ta00575f

Cited by 267 publications

(150 citation statements)

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“…Non-noble metal-based electrocatalysts-such as tungsten and molybdenum chalcogenides [9], carbides [10], nitrides [11], phosphides [12,13], and phosphosulfides [14,15] have received considerable attention. Among the reported catalysts, transition metal phosphides such as CoP [16], FeP [17], The Ni2P (0001) and (101 0) surfaces were created from the fully relaxed bulk structure in order to eliminate any residual forces which may be present during surface relaxation.…”

Section: Introductionmentioning

confidence: 99%

First-Principles Mechanistic Insights into the Hydrogen Evolution Reaction on Ni2P Electrocatalyst in Alkaline Medium

Cross

Dzade

2020

Catalysts

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Nickel phosphide (Ni 2 P) is a promising material for the electrocatalytic generation of hydrogen from water. Here, we present a chemical picture of the fundamental mechanism of Volmer-Tafel steps in hydrogen evolution reaction (HER) activity under alkaline conditions at the (0001) and (1010) surfaces of Ni 2 P using dispersion-corrected density functional theory calculations. Two terminations of each surface (Ni 3 P 2 -and Ni 3 P-terminated (0001); and Ni 2 P-and NiP-terminated (1010)), which have been shown to coexist in Ni 2 P samples depending on the experimental conditions, were studied. Water adsorption on the different terminations of the Ni 2 P (0001) and (1010) surfaces is shown to be exothermic (binding energy in the range of 0.33−0.68 eV) and characterized by negligible charge transfer to/from the catalyst surface (0.01−0.04 e − ). High activation energy barriers (0.86−1.53 eV) were predicted for the dissociation of water on each termination of the Ni 2 P (0001) and (1010) surfaces, indicating sluggish kinetics for the initial Volmer step in the hydrogen evolution reaction over a Ni 2 P catalyst. Based on the predicted Gibbs free energy of hydrogen adsorption (∆G H *) at different surface sites, we found that the presence of Ni 3 -hollow sites on the (0001) surface and bridge Ni-Ni sites on the (1010) surface bind the H atom too strongly. To achieve facile kinetics for both the Volmer and Heyrovsky-Tafel steps, modification of the surface structure and tuning of the electronic properties through transition metal doping is recommended as an important strategy.and Ni 2 P [18-20] have been regarded as very promising electrocatalysts for the HER owing to their low-cost, appropriate electronic structures, and high electrochemical stability. Nickel phosphide (Ni 2 P) in particular is an emerging catalyst for hydrogen evolution reactions [20][21][22][23], hydrodesulfurization (HDS) [24,25], hydrodenitrogenation (HDN) [26][27][28], hydrodeoxygenation (HDO) [29], hydrodechlorination (HDCl) [30], and water-gas shift reactions [31]. Ni 2 P is considered an attractive alternative to noble metal catalysts for HER [20] because both of its constituent elements nickel and phosphorous are cheap, abundant, and non-toxic, which makes Ni 2 P a promising cost-effective material for scalable renewable energy conversion systems.Nickel phosphides are stable and durable in strong acid and alkali conditions, prolonging the turnover number (TON) and lifetime of the catalyst and hence can achieve enhanced HER efficiency [32,33]. The Ni 2 P (0001) surface is the most studied facet for HER activity owing to its comparable predicted hydrogen evolution activity to that of hydrogenase [22,[34][35][36]. Earlier investigations have considered HER activity in acidic medium over Ni 2 P catalysts, whereby the Volmer-Tafel mechanism (H + (aq) → H * , 2H * → ↑H 2 ) involves only characterizing the Gibb's free energy hydrogen adsorption to the catalyst surface [22,23]. There exist limited studies of the HER activity of Ni 2 P under alkaline c...

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Section: Introductionmentioning

confidence: 99%

First-Principles Mechanistic Insights into the Hydrogen Evolution Reaction on Ni2P Electrocatalyst in Alkaline Medium

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2020

Catalysts

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“…Tafel plot, η versus log( j ), is an inherent parameter usually employed to reveal the HER reaction kinetics of a catalyst . In this report, as shown in Figure b, the Tafel slope for commercial Pt/C was calculated to be 32 mV dec −1 , assuring tremendously high HER efficiency.…”

Section: Resultsmentioning

confidence: 85%

“…Its two distinct Tafel slopes, 66.5 and 232.9 mV dec −1 (Figure f) also reflect its poor performance in energy conversion efficiency at the high current density region. The former may be ascribed to the Volmer–Heyrovsky mechanism, namely the absorption of H + generated from PBS, and the latter should be caused by the decreasing H + in the solution, which would push the system to follow another mechanism in neutral media . In sharp contrast, CuCo 2 ‐P exhibits apparently good performance in both low and high current density regions, requiring 62.3 and 146.9 mV in achieving 10 and 100 mA cm −2 , respectively, with a Tafel slope of 65.6 mV dec −1 , which are better than those of pristine CoP 3 (136, 306 mV and 121.7 mV dec −1 ), CuCo 3 ‐P (89, 219 mV and 100 mV dec −1 ), and CuCo‐P (113.9, 274.5 mV and 125.3 mV dec −1 ) as well (Figure g).…”

Section: Resultsmentioning

confidence: 98%

Precursor‐Transformation Strategy Preparation of CuP_x Nanodots–Decorated CoP₃ Nanowires Hybrid Catalysts for Boosting pH‐Universal Electrocatalytic Hydrogen Evolution

Cheng

Pei

Zhuang

et al. 2019

Small

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The development of earth‐abundant, low cost, and versatile electrocatalysts for producing hydrogen from water electrolysis is still challenging. Herein, based on high hydrogen evolution reaction (HER) activity of transition metal phosphides, a CoP3 nanowire decorated with copper phosphides (denoted as CuPx) nanodots structures synthesized through a simple and easily scalable precursor‐transformation strategy is reported as a highly efficient HER catalyst. By decorating with CuPx nanodots, the optimized CoP3 nanowires electrode exhibits excellent catalytic activity and long‐term durability for HER in alkaline conditions, achieving a low overpotential of 49.5 mV at a geometrical catalytic current density of 10 mA cm−2 with a small Tafel slope of 58.0 mV dec−1, while also performing quite well in neutral and acidic media. Moreover, its overall performance exceeds most of the reported state‐of‐the‐art catalysts, especially under high current density of 100 mA cm−2, demonstrating its potential as a promising versatile pH universal electrocatalyst for efficient water electrolysis. These results indicate that the incorporation of earth‐abundant stable element copper can significantly enhance catalytic activity, which widens the application range of copper and provides a new path for design and selection of HER catalysts.

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“…Results of nitrogen sorption porosimetry measurements were displayed in Figure 2d. From Figure 2d it was known that the shape of nitrogen adsorption-desorption isotherm of Al 2 O 3 @TiO 2 showed a representative type-IV curve with an H3-type hysteresis loop, which was the characteristic of mesoporous materials [31]. In addition, the sharp increase in the N 2 uptake at high relative pressures (P/P 0 > 0.9) indicated the existence of macropores [32].…”

Section: Characterization Of Al 2 O 3 @Tiomentioning

confidence: 99%

Decolorization of Reactive Black 5 by Mesoporous Al₂O₃@TiO₂ Nanocomposites

Deng

Zhang

Cao

et al. 2018

Env Prog and Sustain Energy

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In this study, mesoporous Al2O3@TiO2 nanocomposites were synthesized via two successive precipitation methods. Due to the coated TiO2 layer, the Al2O3@TiO2 exhibited a significantly enhanced efficiency for the removal of reactive black 5 dye (RB5). The morphology and compositional characteristics of Al2O3@TiO2 were investigated by TEM, HRTEM, XRD, EDS, FTIR, BET, and zeta‐potential analysis. TEM photos illustrated that TiO2 film covered Al2O3, XRD suggested compositional phases of γ‐Al2O3 and anatase TiO2, and BET measurement confirmed its characteristic of the mesoporous material. Al2O3@TiO2 was applied as an adsorbent to remove RB5 from aqueous solution, and the adsorption isotherms fitted well to the Langmuir isotherm model. The photocatalysis experiments confirmed that Al2O3@TiO2 had the good photocatalytic performance for degrading RB5 and the hydroxyl radical was the major active group. The UV–Vis adsorbance spectra demonstrated that this Al2O3@TiO2 could incompletely degrade RB5 dye under natural indoor light simultaneously when adsorption occurred. © 2018 American Institute of Chemical Engineers Environ Prog, 38: S230–S242, 2019

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Cobalt phosphide-based electrocatalysts: synthesis and phase catalytic activity comparison for hydrogen evolution

Abstract: The HER catalytic efficiency of cobalt phosphide-based catalysts can be enhanced significantly by adjusting crystalline phase and carbon species structures.

Cited by 267 publications

References 56 publications

First-Principles Mechanistic Insights into the Hydrogen Evolution Reaction on Ni2P Electrocatalyst in Alkaline Medium

First-Principles Mechanistic Insights into the Hydrogen Evolution Reaction on Ni2P Electrocatalyst in Alkaline Medium

Precursor‐Transformation Strategy Preparation of CuP_x Nanodots–Decorated CoP₃ Nanowires Hybrid Catalysts for Boosting pH‐Universal Electrocatalytic Hydrogen Evolution

Decolorization of Reactive Black 5 by Mesoporous Al₂O₃@TiO₂ Nanocomposites

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Cobalt phosphide-based electrocatalysts: synthesis and phase catalytic activity comparison for hydrogen evolution

Abstract: The HER catalytic efficiency of cobalt phosphide-based catalysts can be enhanced significantly by adjusting crystalline phase and carbon species structures.

Cited by 267 publications

References 56 publications

First-Principles Mechanistic Insights into the Hydrogen Evolution Reaction on Ni2P Electrocatalyst in Alkaline Medium

First-Principles Mechanistic Insights into the Hydrogen Evolution Reaction on Ni2P Electrocatalyst in Alkaline Medium

Precursor‐Transformation Strategy Preparation of CuPx Nanodots–Decorated CoP3 Nanowires Hybrid Catalysts for Boosting pH‐Universal Electrocatalytic Hydrogen Evolution

Decolorization of Reactive Black 5 by Mesoporous Al2O3@TiO2 Nanocomposites

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Product

Resources

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Precursor‐Transformation Strategy Preparation of CuP_x Nanodots–Decorated CoP₃ Nanowires Hybrid Catalysts for Boosting pH‐Universal Electrocatalytic Hydrogen Evolution

Decolorization of Reactive Black 5 by Mesoporous Al₂O₃@TiO₂ Nanocomposites