@article{1c7878bcbe1440419252a66695aa7ddb,
title = "Two-Dimensional Pd Rafts Confined in Copper Nanosheets for Selective Semihydrogenation of Acetylene",
abstract = "The development of highly selective and active catalysts to catalyze an industrially important semihydrogenation reaction remains an open challenge. Here, we report the design of a bimetallic Pd/Cu(111) catalyst with Pd rafts confined in a Cu nanosheet, which exhibits desirable catalytic performance for acetylene semihydrogenation to ethylene with the selectivity of >90%. Theory calculations show that Pd atoms replacing neighboring Cu atoms in Cu(111) can improve the catalytic activity by reducing the energy barrier of the semihydrogenation reaction, as compared to unsubstituted Cu(111), and can improve the selectivity by weakening the adsorption of C2H4, as compared to a Pd(111) surface. The presence of Pd rafts confined in Cu nanosheets effectively turns on Cu nanosheets for semihydrogenation of acetylene with high activity and selectivity under mild reaction conditions. This work offers a well-defined nanostructured Pd/Cu(111) model catalyst that bridges the pressure and materials' gap between surface-science catalysis and practical catalysis. ",
keywords = "Pd rafts, Two-dimensional materials, acetylene semihydrogenation, copper nanosheets, interfaces",
author = "Xianbiao Fu and Jian Liu and Siriluk Kanchanakungwankul and Xiaobing Hu and Qin Yue and Truhlar, {Donald G.} and Hupp, {Joseph T.} and Yijin Kang",
note = "Funding Information: The work is supported by the National Natural Science Foundation of China under Award 21972016 and 21773023. J.T.H. gratefully acknowledges support from the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences through Grant DE-FG02-08ER15967. Y.J.K. and X.B.F. acknowledge the support from International Institute for Nanotechnology (IIN) and Institute for Sustainability and Energy (ISEN) at Northwestern University. This work made use of the Electron Probe Instrumentation Center (EPIC) facility of Northwestern University{\textquoteright}s Atomic and Nanoscale Characterization Experimental Center (NUANCE), which has received support from the Soft and Hybrid Nanotechnology Experimental (SHyNE) Resource (NSF ECCS-1542205); the Materials Research Science and Engineering Centers (MRSEC) program (NSF DMR-1121262) at the Materials Research Center; and the IIN. This work made use of the J. B. Cohen X-ray Diffraction Facility supported by MRSEC and SHyNE. The work at the University of Minnesota made use of the Inorganometallic Catalysis Design Center, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences under Award DE-SC0012702. Funding Information: The work is supported by the National Natural Science Foundation of China under Award 21972016 and 21773023. J.T.H. gratefully acknowledges support from the U.S. Department of Energy (DOE), Office of Science Basic Energy Sciences through Grant DE-FG02-08ER15967. Y.J.K. and X.B.F. acknowledge the support from International Institute for Nanotechnology (IIN) and Institute for Sustainability and Energy (ISEN) at Northwestern University. This work made use of the Electron Probe Instrumentation Center (EPIC) facility of Northwestern University's Atomic and Nanoscale Characterization Experimental Center (NUANCE), which has received support from the Soft and Hybrid Nanotechnology Experimental (SHyNE) Resource (NSF ECCS-1542205); the Materials Research Science and Engineering Centers (MRSEC) program (NSF DMR-1121262) at the Materials Research Center; and the IIN. This work made use of the J. B. Cohen X-ray Diffraction Facility supported by MRSEC and SHyNE. The work at the University of Minnesota made use of the Inorganometallic Catalysis Design Center, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences under Award DE-SC0012702. Publisher Copyright: {\textcopyright} 2021 American Chemical Society.",
year = "2021",
month = jul,
day = "14",
doi = "10.1021/acs.nanolett.1c01124",
language = "English (US)",
volume = "21",
pages = "5620--5626",
journal = "Nano Letters",
issn = "1530-6984",
publisher = "American Chemical Society",
number = "13",
}