2022, Volume 14, Issue 7
Engineering >> 2022, Volume 14, Issue 7 doi: 10.1016/j.eng.2020.11.014
Taming Electrons in Pt/C Catalysts to Boost the Mesokinetics of Hydrogen Production
a State Key Laboratory of Chemical Engineering, East China University of Science and Technology, Shanghai 200237, China
b Shanghai Synchrotron Radiation Facility, Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201204, China
c Department of Chemical Engineering, Norwegian University of Science and Technology, Trondheim N-7491, Norway
# These authors contributed equally to this work.
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Abstract
Taming the electron transfer across metal–support interfaces appears to be an attractive yet challenging methodology to boost catalytic properties. Herein, we demonstrate a precise engineering strategy for the carbon surface chemistry of Pt/C catalysts—that is, for the electron-withdrawing/donating oxygen-containing groups on the carbon surface—to fine-tune the electrons of the supported metal nanoparticles. Taking the ammonia borane hydrolysis as an example, a combination of density functional theory (DFT) calculations, advanced characterizations, and kinetics and isotopic analyses reveals quantifiable relationships among the carbon surface chemistry, Pt charge state and binding energy, activation entropy/enthalpy, and resultant catalytic activity. After decoupling the influences of other factors, the Pt charge is unprecedentedly identified as an experimentally measurable descriptor of the Pt active site, contributing to a 15-fold increment in the hydrogen generation rate. Further incorporating the Pt charge with the number of Pt active sites, a mesokinetics model is proposed for the first time that can individually quantify the contributions of the electronic and geometric properties to precisely predict the catalytic performance. Our results demonstrate a potentially groundbreaking methodology to design and manipulate metal–carbon catalysts with desirable properties.
Keywords
Mesokinetics model ; Catalyst descriptor ; Pt charge state ; Carbon surface chemistry ; Hydrogen generation activity
SupplementaryMaterials
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