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Compressed Intermetallic PdCu for Enhanced Electrocatalysis

Flores Espinosa, Michelle M. and Cheng, Tao and Xu, Mingjie and Abatemarco, Luca and Choi, Chungseok and Pan, Xiaoqing and Goddard, William A., III and Zhao, Zipeng and Huang, Yu (2020) Compressed Intermetallic PdCu for Enhanced Electrocatalysis. ACS Energy Letters, 5 (12). pp. 3672-3680. ISSN 2380-8195. doi:10.1021/acsenergylett.0c01959.

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Hydrogen evolution reaction (HER) is a key reaction in hydrogen production through water electrolysis. Platinum (Pt) is the best-known element for HER catalysis. Due to the scarcity of Pt, the development of non-Pt nanocatalysts is desired to achieve broad scale implementations. Here we demonstrate that the PdCu nanostructure containing an intermetallic B2 phase (PdCu-B2) shows a smaller Tafel slope, higher exchange current density, and lower overpotential for HER compared to commercial Pt/C in acidic conditions. Density functional theory (DFT) calculations demonstrate that the improved HER performance in acidic conditions can be attributed to the decrease in the hydrogen binding energy (HBE) on the compressed intermetallic PdCu-B2, shifting the HBE to a more optimal position even compared to Pt/C. In addition, PdCu-B2 exhibits the highest mass activity toward the formic acid oxidation reaction, making it a good anode catalyst candidate for formic-acid-based fuel cells.

Item Type:Article
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URLURL TypeDescription
Flores Espinosa, Michelle M.0000-0002-5697-1290
Cheng, Tao0000-0003-4830-177X
Choi, Chungseok0000-0001-9169-1393
Pan, Xiaoqing0000-0002-0965-8568
Goddard, William A., III0000-0003-0097-5716
Zhao, Zipeng0000-0003-1135-6742
Huang, Yu0000-0003-1793-0741
Additional Information:© 2020 American Chemical Society. Received: September 14, 2020; Accepted: October 26, 2020; Published: November 3, 2020. Y.H., W.A.G., Z.Z., and M.F.E. acknowledge the support from Office of Naval Research (N000141812155). T.C. was supported by the Collaborative Innovation Center of Suzhou Nano Science & Technology, the Priority Academic Program Development of Jiangsu Higher Education Institutions (PAPD) and the 111 Project. W.A.G. was supported by the Joint Center for Artificial Photosynthesis, a DOE Energy Innovation Hub, supported through the Office of Science of the U.S. Department of Energy under Award No. DE-SC0004993. This work used the Extreme Science and Engineering Discovery Environment (XSEDE) which is supported by National Science Foundation Grant No. ACI-1548562. The work at UC Irvine was supported by the National Science Foundation with Grants CBET 1159240, DMR1420620, and DMR-1506535. TEM work on JEM Grand ARM was conducted using the facilities in the Irvine Materials Research Institute (IMRI) at the University of California Irvine. The authors declare no competing financial interest.
Funding AgencyGrant Number
Office of Naval Research (ONR)N000141812155
Suzhou Nano Science and TechnologyUNSPECIFIED
Jiangsu Higher Education InstitutionsUNSPECIFIED
111 Project of ChinaUNSPECIFIED
Department of Energy (DOE)DE-SC0004993
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Issue or Number:12
Record Number:CaltechAUTHORS:20201103-135137512
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Official Citation:Compressed Intermetallic PdCu for Enhanced Electrocatalysis. Michelle M. Flores Espinosa, Tao Cheng, Mingjie Xu, Luca Abatemarco, Chungseok Choi, Xiaoqing Pan, William A. Goddard, Zipeng Zhao, and Yu Huang. ACS Energy Letters 2020 5 (12), 3672-3680; DOI: 10.1021/acsenergylett.0c01959
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:106405
Deposited By: Tony Diaz
Deposited On:04 Nov 2020 17:12
Last Modified:16 Nov 2021 18:53

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