Citation: Wei Sun, Yongjing Wang, Kun Xiang, Saishuai Bai, Haitao Wang, Jing Zou, Arramel, Jizhou Jiang. CoP Decorated on Ti₃C₂T_x MXene Nanocomposites as Robust Electrocatalyst for Hydrogen Evolution Reaction[J]. Acta Physico-Chimica Sinica, ;2024, 40(8): 230801. doi: 10.3866/PKU.WHXB202308015 shu

CoP Decorated on Ti₃C₂T_x MXene Nanocomposites as Robust Electrocatalyst for Hydrogen Evolution Reaction

Wei Sun ^{1, †} ,
Yongjing Wang ^{1, †} ,
Kun Xiang ^{1, 2,,} ,
Saishuai Bai ¹ ,
Haitao Wang ¹ ,
Jing Zou ¹ ,
Arramel ³ ,
Jizhou Jiang ^1,,

1.
School of Environmental Ecology and Biological Engineering, School of Chemistry and Environmental Engineering, Key Laboratory of Green Chemical Engineering Process of Ministry of Education, Engineering Research Center of Phosphorus Resources Development and Utilization of Ministry of Education, Novel Catalytic Materials of Hubei Engineering Research Center, Wuhan Institute of Technology, Wuhan 430205, China
2.
Key Laboratory of Optoelectronic Chemical Materials and Devices of Ministry of Education, Jianghan University, Wuhan 430205, China
3.
Nano Center Indonesia, Jalan Raya PUSPIPTEK, South Tangerang, Banten 15314, Indonesia

Corresponding author: Kun Xiang, xiangkun@wit.edu.cn Jizhou Jiang, 027wit@163.com
Received Date: 12 August 2023
Revised Date: 18 September 2023
Accepted Date: 21 September 2023
Available Online: 27 September 2023
Fund Project: the National Natural Science Foundation of China 62004143the National Natural Science Foundation of China 22174033the Key R & D Program of Hubei Province 2022BAA084the Opening Project of Key Laboratory of Optoelectronic Chemical Materials and Devices of Ministry of Education, Jianghan University JDGD-202227the Knowledge Innovation Program of Wuhan Shuguang Project 2022010801020355

Electrocatalysts play a pivotal role in the electrochemical water splitting process to produce hydrogen fuel. The advancement of this technology relies on the development of efficient, cost-effective, and readily available electrocatalysts. Two-dimensional (2D) MXene materials have garnered significant attention due to their unique physicochemical properties, rendering them promising candidates for electrocatalytic applications. While there are numerous types of MXene materials available, only a few possess intrinsic hydrogen evolution reaction (HER) catalytic activity. However, MXene materials can serve as excellent platforms for enhancing catalytic HER activity by combining them with other substances, owing to their large specific surface area, high conductivity, and abundant surface functional groups. In this study, we initially conducted a predictive analysis using density functional theory (DFT) to assess the potential of combining CoP with Ti₃C₂T_x MXene materials (where T_x represents ―F and ―OH functional groups) in reducing the adsorption free energy of hydrogen (ΔG_H*). The results indicated that the CoP-Ti₃C₂T_x nanocomposites exhibited a ΔG_H* value approaching 0, suggesting promising HER performance. Following this theoretical prediction, we synthesized the CoP-Ti₃C₂T_x MXene nanocomposites. Comprehensive characterization of the synthesized nanocomposites was performed using various techniques, including scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), and X-ray photoelectron spectroscopy (XPS). These analyses confirmed the successful decoration of CoP on the MXene nanosheets and provided insights into the structural and compositional properties of the nanocomposites. Furthermore, we evaluated the electrochemical performance of the CoP-Ti₃C₂T_x nanocomposites through linear sweep voltammetry and chronoamperometry measurements. The results demonstrated superior catalytic activity and stability for the HER compared to pure Ti₃C₂T_x and CoP catalysts. Specifically, the as-synthesized CoP-Ti₃C₂T_x MXene nanocomposites exhibited remarkable electrocatalytic HER kinetics, featuring a low overpotential of 135 mV at a current density of 10 mA∙cm⁻² and a small Tafel slope of 48 mV∙dec⁻¹ in a 0.5 mol∙L⁻¹ H₂SO₄ solution, with the electrocatalyst maintaining stability for up to 50 h. Subsequent theoretical calculations were conducted to elucidate the factors contributing to the exceptional electrocatalytic performance of the CoP-Ti₃C₂T_x MXene nanocomposites. It was determined that the metallic conductivity of Ti₃C₂T_x MXene materials, well-structured interface charge transfer, and optimized electronic structure of CoP played significant roles in enhancing catalytic activity. In conclusion, this study underscores the potential of CoP-decorated Ti₃C₂T_x MXene nanocomposites as promising electrocatalysts for efficient HER in various energy conversion and storage devices. These findings represent a significant contribution to the development of robust and efficient catalysts for hydrogen generation, a critical component of renewable energy applications and sustainable development.
- Ti₃C₂T_x MXene,
- Hydrogen evolution reaction,
- CoP,
- Density functional theory,
- Interface charge transfer
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CoP Decorated on Ti3C2Tx MXene Nanocomposites as Robust Electrocatalyst for Hydrogen Evolution Reaction

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CoP Decorated on Ti₃C₂T_x MXene Nanocomposites as Robust Electrocatalyst for Hydrogen Evolution Reaction