Acetylene on Cu(111) is investigated by scanning tunnelling microscopy (STM); a surface pattern previously derived from diffraction measurements can be validated, if the variation of the STM image transfer function through absorption of an acetylene molecule onto the tip apex is taken into account. Density functional theory simulations point to a balance between short-range repulsive interactions of acetylene/Cu(111) associated with surface stress and longer range attractive interactions as the origin of the ordering.
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http://dx.doi.org/10.1088/0953-8984/24/35/354005 | DOI Listing |
Langmuir
July 2024
College of New Materials and New Energies, Shenzhen Technology University, Shenzhen 518118, China.
We present our studies on the adsorption, deprotonation, and reactions of 4,4″-diethynyl-1,1':4',1″-terphenyl on Cu(111) under ultrahigh-vacuum conditions using scanning tunneling microscopy combined with density functional theory calculations. Sequential annealing treatments induce deprotonation of pristine molecules followed by chemical reactions, resulting in branched nanostructures. Within the nanostructures, a previously unreported, double-spot linkage is observed.
View Article and Find Full Text PDFACS Nano
July 2023
IBM Research Europe - Zurich, Säumerstrasse 4, 8803 Rüschlikon, Switzerland.
Incipient soot early in the flame was studied by high-resolution atomic force microscopy and scanning tunneling microscopy to resolve the atomic structure and orbital densities of single soot molecules prepared on bilayer NaCl on Cu(111). We resolved extended catacondensed and pentagonal-ring linked (pentalinked) species indicating how small aromatics cross-link and cyclodehydrogenate to form moderately sized aromatics. In addition, we resolved embedded pentagonal and heptagonal rings in flame aromatics.
View Article and Find Full Text PDFNano Lett
July 2021
Institute of Fundamental and Frontier Sciences, University of Electronic Science and Technology of China, Chengdu, Sichuan 610054, China.
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 CH, as compared to a Pd(111) surface.
View Article and Find Full Text PDFPhys Chem Chem Phys
April 2021
Hunan University, College of Materials Science and Engineering, Changsha 410082, China.
The selective hydrogenation of acetylene was studied on the ordered Cu-Pd intermetallic compounds (L1-type CuPd, L1-type CuPd, and L1-type CuPd) and Pd-modified Cu(111) surfaces through first-principles calculations. The catalytic selectivity and activity of Cu-Pd alloy catalysts are closely related to the crystal structure and composition of Cu-Pd intermetallic compounds and the size of Pd ensembles of Cu-based dilute alloy surface for the selective hydrogenation of acetylene to ethylene. Significantly, we found that the ordered Cu-Pd alloy surface containing isolated Pd atoms (i.
View Article and Find Full Text PDFACS Appl Mater Interfaces
October 2020
State Key Laboratory of Fine Chemicals, School of Chemical Engineering, Dalian University of Technology, Dalian 116024, P. R. China.
Designing cheap, earth-abundant, and nontoxic metal catalysts for acetylene hydrogenation is of pivotal importance, but challenging. Here, a nonprecious metal catalyst for selective hydrogenation of acetylene in excess ethylene was prepared from CuO nanocubes. The preparation includes two steps: (1) thermal treatment in acetylene-containing gas at 160 °C and (2) hydrogen reduction at 180 °C.
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