Citation: Sumei Han, Chaoqun Ma, Fukai Feng, Xinran Jiao, Xiao Ma, Caihong He, Huaifang Zhang, Gang Lin, Xiangmin Meng, Jing Xia, Qinbai Yun, Wenbin Cao, Qipeng Lu. Strong p-d orbital hybridization in Pd-Sb intermetallic nanodisks boosts ethanol electrooxidation[J]. Chinese Chemical Letters, ;2026, 37(9): 111974. doi: 10.1016/j.cclet.2025.111974 shu

Strong p-d orbital hybridization in Pd-Sb intermetallic nanodisks boosts ethanol electrooxidation

Sumei Han ^{a, 1} ,
Chaoqun Ma ^{a, 1} ,
Fukai Feng ^{a, 1} ,
Xinran Jiao ^a ,
Xiao Ma ^a ,
Caihong He ^a ,
Huaifang Zhang ^a ,
Gang Lin ^a ,
Xiangmin Meng ^b ,
Jing Xia ^{b, *,} ,
Qinbai Yun ^{c, *,} ,
Wenbin Cao ^{a, *,} ,
Qipeng Lu ^{a, *,}

a.
School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing 100083, China
b.
Key Laboratory of Photochemical Conversion and Optoelectronic Materials, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190, China
c.
Sustainable Energy and Environment Thrust, The Hong Kong University of Science and Technology (Guangzhou), Guangzhou 511400, China

xiajing@mail.ipc.ac.cn

wbcao@ustb.edu.cn

qipeng@ustb.edu.cn

Received Date: 1 September 2025
Revised Date: 13 October 2025
Accepted Date: 15 October 2025
Available Online: 17 October 2025

Figures(5)

Palladium (Pd)-based catalysts are commonly used for ethanol oxidation reaction (EOR) in direct ethanol fuel cells, but their performance is hindered by sluggish kinetics and CO poisoning. Engineering p-d orbital hybridization between p-block metals and Pd can optimize the electronic properties and thus boosting the electrocatalytic activities. Therefore, Pd₈Sb₃ intermetallic nanodisks (NDs) with an unconventional trigonal phase are synthesized through a simple hydrothermal method, promoting a strong p-d hybridization between Pd and Sb. These Pd₈Sb₃ NDs exhibit exceptional EOR performance with a mass activity of 4.6 A/mg, approximately six times as high as commercial Pd/C. Density functional theory (DFT) calculations confirm that p-d hybridization optimizes intermediates adsorption and reduces reaction energy barriers. This work provides an effective pathway to fabricate strong p-d orbital hybridization and enhance the catalytic performance of Pd-based catalysts for renewable energy applications.
- Orbital hybridization,
- Intermetallic compounds,
- Ethanol oxidation,
- Reaction pathway,
- Nanodisks
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