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Narrowing High‐Valent Ni Formation Potential and Widening Urea Oxidation Window by Ni2P/MoP Hybrid Catalyst.

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Title: Narrowing High‐Valent Ni Formation Potential and Widening Urea Oxidation Window by Ni2P/MoP Hybrid Catalyst.
Authors: Yin, Chun1 (AUTHOR), Yang, Fulin1 (AUTHOR), Liu, Terence2 (AUTHOR), Wang, Shuli3 (AUTHOR), Feng, Ligang1,3 (AUTHOR) ligang.feng@kust.edu.cn
Source: Advanced Energy Materials. May2026, Vol. 16 Issue 20, p1-11. 11p.
Subject Terms: *Electrocatalysts, *Hydrogen production, *Electrolytic oxidation, *Density functional theory, *Electrolysis, *Electrocatalysis, *Electron density
Abstract: Achieving selective and energy‐efficient urea oxidation is a key challenge in urea‐assisted water electrolysis due to sluggish activation of nickel sites and their limited active potential range. Here, we construct Ni2P/MoP embedded in conductive carbon nanofibers (Ni2P/MoP/CNFs) that couple precise interfacial charge redistribution with synergistic electronic modulation to accelerate high‐valent Ni3+ sites formation (50 vs. 140 mV of Ni2P) and expand urea oxidation potential window (290 vs. 150 mV of Ni2P). Electronic coupling shifts the Ni d‐band center, promoting rapid Ni2+/Ni3+ transformation and optimizing intermediate adsorption–desorption. In situ Raman and FTIR analyses identify NiOOH as the active phase that facilitates early‐stage C─N bond cleavage and suppresses oxygen evolution up to 110 mV beyond its onset in the pure Ni2P system. Supported by density functional theory calculations, this interfacial modulation reduces the energy barrier for urea oxidation from 1.84 to 1.76 eV. Benefiting from this unique electronic structure, Ni2P/MoP/CNFs achieve a current density of 141.2 mA cm−2 at 1.54 V, 2.9 times that of the Ni2P/CNFs; and it also shows good stability in the urea electrolysis for hydrogen generation over 100 h. This work advances efficient hydrogen production via urea electrolysis by bridging Ni activation kinetics and oxidation selectivity. [ABSTRACT FROM AUTHOR]
Database: Energy & Power Source
FullText Text:
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Header DbId: enr
DbLabel: Energy & Power Source
An: 194136201
AccessLevel: 6
PubType: Academic Journal
PubTypeId: academicJournal
PreciseRelevancyScore: 0
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Items – Name: Title
  Label: Title
  Group: Ti
  Data: Narrowing High‐Valent Ni Formation Potential and Widening Urea Oxidation Window by Ni<subscript>2</subscript>P/MoP Hybrid Catalyst.
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  Label: Authors
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  Data: <searchLink fieldCode="AR" term="%22Yin%2C+Chun%22">Yin, Chun</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Yang%2C+Fulin%22">Yang, Fulin</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Liu%2C+Terence%22">Liu, Terence</searchLink><relatesTo>2</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Wang%2C+Shuli%22">Wang, Shuli</searchLink><relatesTo>3</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Feng%2C+Ligang%22">Feng, Ligang</searchLink><relatesTo>1,3</relatesTo> (AUTHOR)<i> ligang.feng@kust.edu.cn</i>
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  Label: Source
  Group: Src
  Data: <searchLink fieldCode="JN" term="%22Advanced+Energy+Materials%22">Advanced Energy Materials</searchLink>. May2026, Vol. 16 Issue 20, p1-11. 11p.
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  Data: *<searchLink fieldCode="DE" term="%22Electrocatalysts%22">Electrocatalysts</searchLink><br />*<searchLink fieldCode="DE" term="%22Hydrogen+production%22">Hydrogen production</searchLink><br />*<searchLink fieldCode="DE" term="%22Electrolytic+oxidation%22">Electrolytic oxidation</searchLink><br />*<searchLink fieldCode="DE" term="%22Density+functional+theory%22">Density functional theory</searchLink><br />*<searchLink fieldCode="DE" term="%22Electrolysis%22">Electrolysis</searchLink><br />*<searchLink fieldCode="DE" term="%22Electrocatalysis%22">Electrocatalysis</searchLink><br />*<searchLink fieldCode="DE" term="%22Electron+density%22">Electron density</searchLink>
– Name: Abstract
  Label: Abstract
  Group: Ab
  Data: Achieving selective and energy‐efficient urea oxidation is a key challenge in urea‐assisted water electrolysis due to sluggish activation of nickel sites and their limited active potential range. Here, we construct Ni2P/MoP embedded in conductive carbon nanofibers (Ni2P/MoP/CNFs) that couple precise interfacial charge redistribution with synergistic electronic modulation to accelerate high‐valent Ni3+ sites formation (50 vs. 140 mV of Ni2P) and expand urea oxidation potential window (290 vs. 150 mV of Ni2P). Electronic coupling shifts the Ni d‐band center, promoting rapid Ni2+/Ni3+ transformation and optimizing intermediate adsorption–desorption. In situ Raman and FTIR analyses identify NiOOH as the active phase that facilitates early‐stage C─N bond cleavage and suppresses oxygen evolution up to 110 mV beyond its onset in the pure Ni2P system. Supported by density functional theory calculations, this interfacial modulation reduces the energy barrier for urea oxidation from 1.84 to 1.76 eV. Benefiting from this unique electronic structure, Ni2P/MoP/CNFs achieve a current density of 141.2 mA cm−2 at 1.54 V, 2.9 times that of the Ni2P/CNFs; and it also shows good stability in the urea electrolysis for hydrogen generation over 100 h. This work advances efficient hydrogen production via urea electrolysis by bridging Ni activation kinetics and oxidation selectivity. [ABSTRACT FROM AUTHOR]
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RecordInfo BibRecord:
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    Identifiers:
      – Type: doi
        Value: 10.1002/aenm.70876
    Languages:
      – Code: eng
        Text: English
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      Pagination:
        PageCount: 11
        StartPage: 1
    Subjects:
      – SubjectFull: Electrocatalysts
        Type: general
      – SubjectFull: Hydrogen production
        Type: general
      – SubjectFull: Electrolytic oxidation
        Type: general
      – SubjectFull: Density functional theory
        Type: general
      – SubjectFull: Electrolysis
        Type: general
      – SubjectFull: Electrocatalysis
        Type: general
      – SubjectFull: Electron density
        Type: general
    Titles:
      – TitleFull: Narrowing High‐Valent Ni Formation Potential and Widening Urea Oxidation Window by Ni2P/MoP Hybrid Catalyst.
        Type: main
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          Name:
            NameFull: Yin, Chun
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            NameFull: Yang, Fulin
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            NameFull: Liu, Terence
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            NameFull: Wang, Shuli
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            NameFull: Feng, Ligang
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            – D: 22
              M: 05
              Text: May2026
              Type: published
              Y: 2026
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              Value: 16146832
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              Value: 16
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              Value: 20
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            – TitleFull: Advanced Energy Materials
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