Citation: Xiaochun Ke, Wei Zhong, Zhongliao Wang, Jinfeng Zhang, Kai Dai. 异质结工程调控Mo₂C MXene助剂上H*的吸附亲和力以实现高效光催化产氢[J]. Acta Physico-Chimica Sinica, ;2026, 42(11): 100372. doi: 10.1016/j.actphy.2026.100372 shu

异质结工程调控Mo₂C MXene助剂上H*的吸附亲和力以实现高效光催化产氢

Xiaochun Ke ¹ ,
Wei Zhong ^2,, ,
Zhongliao Wang ³ ,
Jinfeng Zhang ^3,, ,
Kai Dai ^3,,

1.
Anhui Provincial Key Laboratory of Advanced Catalysis and Energy Materials, Anhui Key Laboratory of Optoelectronic Magnetic Functional Complex and Nano Complex, School of Chemistry and Chemical Engineering, Anqing Normal University, Anqing 261433, Anhui Province, China;
2.
College of New Materials and New Energies, Shenzhen Technology University, Shenzhen 518118, Guangdong Province, China;
3.
Key Laboratory of Green and Precise Synthetic Chemistry and Applications, Ministry of Education, Huaibei Key Laboratory for Low-Carbon Conversion of Small-Molecule Resources, School of Chemistry and Chemical Engineering, Huaibei Normal University, Huaibei 235000, Anhui Province, China

Corresponding author: Wei Zhong, Jinfeng Zhang, Kai Dai,
Received Date: 4 July 2026
Revised Date: 19 July 2026
Accepted Date: 23 July 2026

Mo₂C MXene (Mo₂CT_x)被认为是光催化产氢领域最高效的助剂之一，但其固有的助催化性能常受限于催化活性Mo原子对氢中间体(H*)过强的吸附作用。为此，本研究提出了一种巧妙的策略：通过构建Mo₂CT_x-MoSe_2-yS_y异质结助剂，调节Mo₂CT_x中活性Mo原子的H*吸附亲和力，从而有效削弱Mo-H_ads键，以实现高效的光催化产氢。具体而言，利用简便的NaBH₄辅助溶剂热法合成Mo₂CT_x-MoSe_2-yS_y异质结，随后通过超声辅助法将其与TiO₂复合，制备出了TiO₂/Mo₂CT_x-MoSe_2-yS_y复合光催化剂。结果表明，TiO₂/Mo₂CT_x-MoSe_1.5S_0.5样品表现出了优异的光催化产氢速率(1142.76 μmol g^-1 h^-1)，分别比TiO₂/Mo₂CT_x和TiO₂/Mo₂CT_x-MoSe₂高出4.76倍和1.95倍。实验表征与密度泛函理论(DFT)计算结果表明，自由电子从MoSe_1.5S_0.5定向转移至Mo₂CT_x，能向Mo₂CT_x上Mo原子的d轨道注入电子，从而形成富电子的Mo^δ^-位点。富电子的Mo^δ^-位点能够增加Mo-H_ads反键轨道的占据态，进而削弱Mo-H_ads键，使Mo₂CT_x的表面实现近乎平衡的H*吸附/脱附动力学，从而显著提升产氢性能。本研究为合理设计Mo₂CT_x基助剂以优化其活性位点效率开辟了新途径。
- Photocatalytic H₂ production,
- Cocatalysts,
- Mo₂CT_x-MoSe_2-yS_y heterojunction,
- Mo₂C MXene,
- Antibonding-orbital occupancy
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通讯作者: 陈斌, bchen63@163.com

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沈阳化工大学材料科学与工程学院沈阳 110142

异质结工程调控Mo2C MXene助剂上H*的吸附亲和力以实现高效光催化产氢

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通讯作者: 陈斌, bchen63@163.com

异质结工程调控Mo₂C MXene助剂上H*的吸附亲和力以实现高效光催化产氢