Citation: Xincan Zhou, Xueyao Wang, Xiaokang Chen, Di Lan, Yuting Gao, Xiaoxia Wang, Daohao Li, Shuchao Zhang, Lijie Zhang, Guanglei Wu. Charge redistribution on Pd mediated by electronically asymmetric carbon for boosting ethanol oxidation[J]. Acta Physico-Chimica Sinica, ;2026, 42(7): 100287. doi: 10.1016/j.actphy.2026.100287 shu

Charge redistribution on Pd mediated by electronically asymmetric carbon for boosting ethanol oxidation

Xincan Zhou ^1,2 ,
Xueyao Wang ^1,3 ,
Xiaokang Chen ^1,4 ,
Di Lan ² ,
Yuting Gao ⁵ ,
Xiaoxia Wang ¹ ,
Daohao Li ¹ ,
Shuchao Zhang ^1,6,, ,
Lijie Zhang ^1,, ,
Guanglei Wu ^1,,

1.
State Key Laboratory of Bio-fibers and Eco-textiles, College of Materials Science and Engineering, Qingdao University, Qingdao 266237, Shandong Province, China;
2.
School of Automotive Materials, Hubei University of Automotive Technology, Shiyan 442002, Hubei Province, China;
3.
School of Environmental Science and Engineering, Shandong University, Qingdao 266237, Shandong Province, China;
4.
Institute of Frontier Chemistry, School of Chemistry and Chemical Engineering, Shandong University, Qingdao 266237, Shandong Province, China;
5.
Shandong Institute of Scientific and Technical Information, Jinan 250101, Shandong Province, China;
6.
Department of Blood Transfusion, The Affiliated Hospital of Qingdao University, Qingdao University, Qingdao 266003, Shandong Province, China

Corresponding author: Shuchao Zhang, Lijie Zhang, Guanglei Wu,
Received Date: 19 December 2025
Revised Date: 12 March 2026
Accepted Date: 12 March 2026

Pd-based materials as the promising catalysts for ethanol oxidation reaction (EOR) are still intrinsically limited by the surface electronic-structure trade-off between ethanol adsorption and CH₃CO intermediate desorption. Herein, the Pd supported on N/S co-doped carbon (Pd@SNC) catalyst is synthesized, in which the doped S and N atoms could transfer moderate amounts electron to Pd, leading to opportune electron structure of Pd. Moreover, the moderate negative shift of d-band center demonstrate that the opportune Pd electron structure can strengthen adsorption of ethanol/OH^- and promote the desorption of intermediate (CH₃CO*), which may facilitate the kinetics. As a result, Pd@SNC exhibiting the highest catalytic activity for EOR (945.49 mA mg_Pd^-1), surpassing to that of Pd@NC and Pd@C. Due to the fact that the electronic structure of Pd is properly regulated by co-doped N and S atoms, as shown by the theoretical calculation results, Pd@SNC exhibits the lowest reaction energy barrier of the dehydrogenation during the process of EOR.
- Pd-based catalyst,
- Ethanol oxidation,
- Heteroatoms doping,
- Metal-support interaction,
- Electronic structure
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沈阳化工大学材料科学与工程学院沈阳 110142