Rational design of BiVO4/CoFe-LDH@Ni2(NO3)2(OH)2 ternary photoanodes: synergistic built-in electric field and oxygen vacancies for high-efficiency solar water oxidation

Liye Shuai; Qun Li; Jia Liu; Jiabin Wu; Xinning Huang; Jianglong Yu; Jinxiao Dou; Huaiguang Li; Xingxing Chen

doi:10.1016/j.ijhydene.2025.151556

Rational design of BiVO₄/CoFe-LDH@Ni₂(NO₃)₂(OH)₂ ternary photoanodes: synergistic built-in electric field and oxygen vacancies for high-efficiency solar water oxidation

Liye Shuai
, Qun Li
, Jia Liu
, Jiabin Wu
, Xinning Huang
, Jianglong Yu
, Jinxiao Dou
, Huaiguang Li
, Xingxing Chen

Research output: Contribution to journal › Article › Research › peer-review

12 Citations (Scopus)

Abstract

The rational design of efficient photoanodes is essential for advancing solar-driven water oxidation. This study addresses the intrinsic challenges of bismuth vanadate (BiVO₄), such as sluggish charge kinetics and severe surface recombination, through the construction of a ternary composite photoanode via synergistic interfacial modification and cocatalyst integration. A hierarchical architecture was fabricated through sequential low-temperature chemical bath deposition and electrodeposition, integrating a CoFe-layered double hydroxide (CoFe-LDH) interlayer and nickel-hydroxynitrate (Ni₂(NO₃)₂(OH)₂) onto BiVO₄ substrates. The optimized BiVO₄/CoFe-LDH@Ni₂(NO₃)₂(OH)₂ photoanode achieves a photocurrent density of 5.57 mA/cm² at 1.23 V vs. reversible hydrogen electrode (V_RHE) under Air Mass 1.5 Global (AM 1.5G) illumination, accompanied by a 251 mV cathodic shift in onset potential. Comprehensive characterizations-including X-ray photoelectron spectroscopy (XPS), open-circuit photovoltage (OCP) decay, time-resolved photoluminescence (TRPL) decay, electron paramagnetic resonance (EPR) and Kelvin probe force microscopy (KPFM)-reveal that the oxygen vacancy (O_v)-rich CoFe-LDH@Ni₂(NO₃)₂(OH)₂ layer facilitates efficient charge transfer within BiVO₄ and generates a pronounced built-in electric field, thereby significantly enhancing interfacial charge separation. Concurrently, density functional theory (DFT) calculations demonstrate that the interfacial effect of CoFe-LDH@Ni₂(NO₃)₂(OH)₂ substantially lowers the thermodynamic barrier for the oxygen evolution reaction (OER). This study offers fundamental insights for fabricating high-efficiency BiVO₄-based photoanodes.

Original language	English
Article number	151556
Number of pages	12
Journal	International Journal of Hydrogen Energy
Volume	177
DOIs	https://doi.org/10.1016/j.ijhydene.2025.151556
Publication status	Published - 13 Oct 2025
Externally published	Yes

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

SDG 7 Affordable and Clean Energy

Keywords

BiVO
CoFe-LDH
Oxygen evolution reaction (OER)
Photoelectrochemical (PEC)

Access to Document

10.1016/j.ijhydene.2025.151556

Cite this

Shuai, L., Li, Q., Liu, J., Wu, J., Huang, X., Yu, J., Dou, J., Li, H., & Chen, X. (2025). Rational design of BiVO₄/CoFe-LDH@Ni₂(NO₃)₂(OH)₂ ternary photoanodes: synergistic built-in electric field and oxygen vacancies for high-efficiency solar water oxidation. International Journal of Hydrogen Energy, 177, Article 151556. https://doi.org/10.1016/j.ijhydene.2025.151556

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abstract = "The rational design of efficient photoanodes is essential for advancing solar-driven water oxidation. This study addresses the intrinsic challenges of bismuth vanadate (BiVO4), such as sluggish charge kinetics and severe surface recombination, through the construction of a ternary composite photoanode via synergistic interfacial modification and cocatalyst integration. A hierarchical architecture was fabricated through sequential low-temperature chemical bath deposition and electrodeposition, integrating a CoFe-layered double hydroxide (CoFe-LDH) interlayer and nickel-hydroxynitrate (Ni2(NO3)2(OH)2) onto BiVO4 substrates. The optimized BiVO4/CoFe-LDH@Ni2(NO3)2(OH)2 photoanode achieves a photocurrent density of 5.57 mA/cm2 at 1.23 V vs. reversible hydrogen electrode (VRHE) under Air Mass 1.5 Global (AM 1.5G) illumination, accompanied by a 251 mV cathodic shift in onset potential. Comprehensive characterizations-including X-ray photoelectron spectroscopy (XPS), open-circuit photovoltage (OCP) decay, time-resolved photoluminescence (TRPL) decay, electron paramagnetic resonance (EPR) and Kelvin probe force microscopy (KPFM)-reveal that the oxygen vacancy (Ov)-rich CoFe-LDH@Ni2(NO3)2(OH)2 layer facilitates efficient charge transfer within BiVO4 and generates a pronounced built-in electric field, thereby significantly enhancing interfacial charge separation. Concurrently, density functional theory (DFT) calculations demonstrate that the interfacial effect of CoFe-LDH@Ni2(NO3)2(OH)2 substantially lowers the thermodynamic barrier for the oxygen evolution reaction (OER). This study offers fundamental insights for fabricating high-efficiency BiVO4-based photoanodes.",

keywords = "BiVO, CoFe-LDH, Oxygen evolution reaction (OER), Photoelectrochemical (PEC)",

author = "Liye Shuai and Qun Li and Jia Liu and Jiabin Wu and Xinning Huang and Jianglong Yu and Jinxiao Dou and Huaiguang Li and Xingxing Chen",

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T2 - synergistic built-in electric field and oxygen vacancies for high-efficiency solar water oxidation

AU - Shuai, Liye

AU - Li, Qun

AU - Liu, Jia

AU - Wu, Jiabin

AU - Huang, Xinning

AU - Yu, Jianglong

AU - Dou, Jinxiao

AU - Li, Huaiguang

AU - Chen, Xingxing

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AB - The rational design of efficient photoanodes is essential for advancing solar-driven water oxidation. This study addresses the intrinsic challenges of bismuth vanadate (BiVO4), such as sluggish charge kinetics and severe surface recombination, through the construction of a ternary composite photoanode via synergistic interfacial modification and cocatalyst integration. A hierarchical architecture was fabricated through sequential low-temperature chemical bath deposition and electrodeposition, integrating a CoFe-layered double hydroxide (CoFe-LDH) interlayer and nickel-hydroxynitrate (Ni2(NO3)2(OH)2) onto BiVO4 substrates. The optimized BiVO4/CoFe-LDH@Ni2(NO3)2(OH)2 photoanode achieves a photocurrent density of 5.57 mA/cm2 at 1.23 V vs. reversible hydrogen electrode (VRHE) under Air Mass 1.5 Global (AM 1.5G) illumination, accompanied by a 251 mV cathodic shift in onset potential. Comprehensive characterizations-including X-ray photoelectron spectroscopy (XPS), open-circuit photovoltage (OCP) decay, time-resolved photoluminescence (TRPL) decay, electron paramagnetic resonance (EPR) and Kelvin probe force microscopy (KPFM)-reveal that the oxygen vacancy (Ov)-rich CoFe-LDH@Ni2(NO3)2(OH)2 layer facilitates efficient charge transfer within BiVO4 and generates a pronounced built-in electric field, thereby significantly enhancing interfacial charge separation. Concurrently, density functional theory (DFT) calculations demonstrate that the interfacial effect of CoFe-LDH@Ni2(NO3)2(OH)2 substantially lowers the thermodynamic barrier for the oxygen evolution reaction (OER). This study offers fundamental insights for fabricating high-efficiency BiVO4-based photoanodes.

KW - BiVO

KW - CoFe-LDH

KW - Oxygen evolution reaction (OER)

KW - Photoelectrochemical (PEC)

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DO - 10.1016/j.ijhydene.2025.151556

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