Topic
Chemisorption
About: Chemisorption is a research topic. Over the lifetime, 16298 publications have been published within this topic receiving 554989 citations.
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TL;DR: In this paper, the authors studied the performance of pitch-based ACFs with different levels of NO 2 adsorption and reduction in a range of concentrations (NO 2, 250-1000 ppm; O 2, 0-10%) and temperatures (30-70°C).
134 citations
TL;DR: In this article, the authors compared the results obtained from X-ray diffraction (XRD) and transmission electron microscopy (TEM) to those obtained from typical NiSiO2 and NiAl2O3 catalysts, and showed that oxygen monolayer coverage on NiO2-supported nickel does not exceed unity regardless of crystallite size.
134 citations
TL;DR: In this article, the density functional theory has been used to simultaneously investigate physi-/chemi-sorption properties of hydrogen on the (10,0) single-walled carbon nanotube (SWCNT) walls.
134 citations
TL;DR: In this article, the structure of the covalent attachment of a cluster to a surface can be regarded as a model for the metal-support interaction which is frequently involved in heterogeneous catalysis.
134 citations
TL;DR: In this article, the locations and energies of Cu ions in a Cu/SSZ-13 zeolite catalyst were investigated by density functional theory (DFT) calculations, and the vibrational frequency of chemisorbed NO was found to be very sensitive to the location of...
Abstract: The locations and energies of Cu ions in a Cu/SSZ-13 zeolite catalyst were investigated by density functional theory (DFT) calculations. For “naked” Cu2+ ions (i.e., Cu2+ ions with no ligands in their coordination spheres other than zeolite lattice oxygen atoms), the more energetically favorable sites are within a 6-membered ring. However, with the presence of various adsorbates, the energy difference between 6- and 8-membered ring locations greatly diminishes. Specifically, Cu2+ ions are substantially stabilized by −OH ligands (as [CuII(OH)]+), making the extra-framework sites in an 8-membered ring energetically more favorable than 6-membered ring sites. Under fully dehydrated high vacuum conditions with different Si/Al and Cu/Al ratios, three chemisorbed NO species coexist upon exposure of NO to Cu/SSZ-13: NO+, Cu2+–NO, and Cu+–NO. The relative signal intensities for these bands vary greatly with Si/Al ratios. The vibrational frequency of chemisorbed NO was found to be very sensitive to the location of ...
134 citations