Insight into the electrochemical-cycling activation of Pt/molybdenum carbide toward synergistic hydrogen evolution catalysis

He, Jianan; Cui, Zhenduo; Zhu, Shengli; Li, Zhaoyang; Wu, Shuilin; Zheng, Lirong; Gao, Zhonghui; Liang, Yanqin

doi:10.1016/j.jcat.2020.02.020

Cited by 12 publications

(6 citation statements)

References 44 publications

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“…The results of this analysis are shown in Figure . Analysis of the SPDs offers an understanding of the *O and *OH adsorption (including the case of free of *O and *OH) on the bare surfaces at different applied voltages U and pH in water. ,, In the previous experimental and theoretical work, the nonmetal catalysis covered by *O or *OH in the condition of U SHE = 0, pH = 0 is indicated. ,, Here, the SPD of (001)W is taken as an example for discussion. For U RHE < −0.52 V, (001)W prefers to be free of *O and *OH adsorbates.…”

Section: Results and Discussionmentioning

confidence: 99%

“…43,[51][52] In the previous experimental and theoretical work, it is also indicated the non-metal catalysis covered by *O or *OH in the condition of USHE=0, pH =0. 36,[53][54] Here, the SPD of (001)W is taken as an example for discussion. For URHE < -0.52 V, (001)W prefers to be free of *O and *OH adsorbates.…”

Section: Surface Pourbaix Diagrams and Hydrogen Evolution On Wc Surfacesmentioning

confidence: 99%

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The Combined Role of Faceting and Heteroatom Doping for Hydrogen Evolution on a WC Electrocatalyst in Aqueous Solution: A Density Functional Theory Study

Huang

Chen

et al. 2021

J. Phys. Chem. C

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Tungsten carbide (WC) is an established model electrocatalyst for the hydrogen evolution reaction (HER) in aqueous solutions. In spite of extensive interest in and work on this material, systematic atomistic understanding of the combined role of faceting and hetero-atom doping for hydrogen evolution on WC electrocatalysts in aqueous solution is not available. To fill this knowledge gap, here we explore the interplay of these parameters for the electrocatalytic performance of WC by means of Density Functional Theory (DFT) simulations. In our simulations, we explicitly account for solvent (water) effects and related electrochemical, potential dependent oxygen or hydroxyl (co-)adsorption on the WC surfaces as determined by analysis of surface Pourbaix diagrams. Among the several low-index WC surfaces screened, the DFT simulations indicate that the W-terminated (-100) and (111) surfaces of WC show comparable exchange currents of 3.908 and 0.133 mA/cm 2 , respectively. The simulations also suggest that V or N doping can substantially increase the HER activity of some WCsurfaces to levels comparable to commercial Pt/C electrocatalysts, with current densities as large as 10.555, 1.730, and 0.636 mA/cm 2 for the V-doped W-terminated (001), V-doped (101), and N-doped (101) WC-surfaces, respectively. The improved HER activities are rationalized in terms of the d-band or p-band center, which are both shown to be related to the capability of tuning the hydrogen adsorption, thence HER performance. The calculated strong dependence of the HER activity on the presence of electrochemical adsorption of oxygen and hydroxyls reiterates the importance of modeling realistic electrochemical conditions for WC pristine or doped surfaces. We expect the DFT results presented to provide timely and original guidelines for further theoretical and experimental studies of HER activity on WC-related electrocatalysts.

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Section: Results and Discussionmentioning

confidence: 99%

Section: Surface Pourbaix Diagrams and Hydrogen Evolution On Wc Surfacesmentioning

confidence: 99%

The Combined Role of Faceting and Heteroatom Doping for Hydrogen Evolution on a WC Electrocatalyst in Aqueous Solution: A Density Functional Theory Study

Huang

Chen

et al. 2021

J. Phys. Chem. C

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“…6). 47,48 Herein, the Mo 6+ species on the catalyst surface is inclined to be reduced to Mo 5+ under operation at negative potential. H 3 O + cations produced by the water dissociation are weakly bound to the vacant sites on the metal complex (Mo 5+ –Mo 5+ ) via a dative bond (step 1).…”

Section: Resultsmentioning

confidence: 99%

“…Therefore, the slight drop in potential (increase in HER performance) can be attributed to Pt deposition in Mo-based catalysts in the cathode, being consistent with our previous work. 48…”

Section: Resultsmentioning

confidence: 99%

A smart strategy of “laser-direct-writing” to achieve scalable fabrication of self-supported MoNi₄/Ni catalysts for efficient and durable hydrogen evolution reaction

Sun

Zhu

et al. 2022

J. Mater. Chem. A

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“…Compared with wet chemical method, electrochemical deposition (sacrificial-anode Pt sheet) method has been proved to have the advantages of high efficiency, control, and maximum Pt utilization. [5,[46][47][48] Consequently, we applied the CV method for the synthesis of MAC tailored low dose Pt catalyst in 0.5 m H 2 SO 4 system with a Pt foil as the counter electrode. As a matter of course, MAC 1 V 4 h was selected for subsequent experiments due to its lowest HER overpotential.…”

Section: Catalyst Synthesis and Characterization Of Mac@ptmentioning

confidence: 99%

In Situ Electrosynthesis of MAX‐Derived Electrocatalysts for Superior Hydrogen Evolution Reaction

Sheng

Bin

Yang

et al. 2022

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more mature precious metal catalysts such as Pt. However, the high cost, limited earth reserves, and easy aggregation property promote the optimization of precious metal usage and the development of non-precious metal catalysts. [4] Therefore, the coupling mechanism of the conductive matrix and the Pt nanoparticles can greatly stabilize the catalytic activity and reduce the production cost at the same time. [5] 2D transition metal carbides and nitrides (MXenes) of high electrical conductivity, hydrophilicity, large specific surface area, and adjustable surface characteristics have shown great potential in the field of electrocatalysis. [6] MXenes specifically refer to a type of material with M n + 1 X n T x element composition (M, transition metal element, X, C, or N atom, and T, surface functional group, and n = 1-4, atomic layer number). [7] Recently, Cui et al. proposed a method to take advantage of the hydrophilicity and reducibility of MXenes to immobilize highly active nano/atomic metal Pt on Ti 3 C 2 T x MXene sheets, while adding single-walled carbon nanotubes as a binder. The prepared hierarchical HER catalyst (in the form of a membrane) showed high stability during 800 h operation. [8] And a strategy for electrochemical in situ synthesis of Mo 2 TiC 2 T x MXenes supported single platinum atoms was proposed. The vacancy introduced by electrochemical exfoliation of MXenes became the active site anchored by Pt, enhancing the activity of HER. [9] Besides, low Pt dose supported on multilevel hollow MXenes catalyst, Pt 3 Ti nanoparticles formed in situ based on Ti from the surface of Ti 3 C 2 T x , and PtNi ultrathin nanowires with MXenes provided an actual MXenes coupling concept with Pt, enabling the development of high performance and stability of HER catalysts. [4,10,11] According to current literature reports, various surface groups and intrinsic defects of MXene have remarkable effects on the anchoring and dispersion of Pt atoms/cluster. [12] At present, the most extensive preparation method is to etch the A layer atoms in the MAX phase (A represents the elements of 13 or 14 groups in periodic table) by HF or LiF + HCl. Theoretical predictions have confirmed some pure MXenes are promising HER catalysts based on the premise that surface functional groups are O or OH groups. [13] Nevertheless, the experimental results showed poor catalytic activity of pure MXenes, generally due to the wet chemical etching of the precursor MAX phase to prepare MXenes, which introduced MAX phases are frequently dominated as precursors for the preparation of the star material MXene, but less eye-dazzling by their own potential applications. In this work, the electrocatalytic hydrogen evolution reaction (HER) activity of MAX phase is investigated. The MAX-derived electrocatalysts are prepared by a two-step in situ electrosynthesis process, an electrochemical etching step followed by an electrochemical deposition step. First, a Mo 2 TiAlC 2 MAX phase is electrochemically etched in 0.5 m H 2 SO 4 electrolyte. Just several hours...

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Insight into the electrochemical-cycling activation of Pt/molybdenum carbide toward synergistic hydrogen evolution catalysis

Cited by 12 publications

References 44 publications

The Combined Role of Faceting and Heteroatom Doping for Hydrogen Evolution on a WC Electrocatalyst in Aqueous Solution: A Density Functional Theory Study

The Combined Role of Faceting and Heteroatom Doping for Hydrogen Evolution on a WC Electrocatalyst in Aqueous Solution: A Density Functional Theory Study

A smart strategy of “laser-direct-writing” to achieve scalable fabrication of self-supported MoNi₄/Ni catalysts for efficient and durable hydrogen evolution reaction

In Situ Electrosynthesis of MAX‐Derived Electrocatalysts for Superior Hydrogen Evolution Reaction

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Insight into the electrochemical-cycling activation of Pt/molybdenum carbide toward synergistic hydrogen evolution catalysis

Cited by 12 publications

References 44 publications

The Combined Role of Faceting and Heteroatom Doping for Hydrogen Evolution on a WC Electrocatalyst in Aqueous Solution: A Density Functional Theory Study

The Combined Role of Faceting and Heteroatom Doping for Hydrogen Evolution on a WC Electrocatalyst in Aqueous Solution: A Density Functional Theory Study

A smart strategy of “laser-direct-writing” to achieve scalable fabrication of self-supported MoNi4/Ni catalysts for efficient and durable hydrogen evolution reaction

In Situ Electrosynthesis of MAX‐Derived Electrocatalysts for Superior Hydrogen Evolution Reaction

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Product

Resources

About

A smart strategy of “laser-direct-writing” to achieve scalable fabrication of self-supported MoNi₄/Ni catalysts for efficient and durable hydrogen evolution reaction