Hydrogen-Bonded Cyclic Water Clusters Nucleated on an Oxide Surface.
We report the observation and molecular-scale scanning probe electronic structure (dl/dV) mapping of hydrogen-bonded cyclic water clusters nucleated on an oxide surface. The measurements are made on a new type of cyclic water cluster that is characterized by simultaneous and cooperative bonding inte...
| Publicado en: | Journal of the American Chemical Society Vol. 136; no. 38; pp. 13283 - 13289 |
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| Autores principales: | , , , , , , |
| Formato: | Artículo |
| Publicado: |
American Chemical Society
9/24/2014
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| Materias: | |
| Acceso en línea: | Ver este registro en EBSCOhost |
| fields | @attributes: recordID: 1 pdfLink: plink: https://search.ebscohost.com/login.aspx?direct=true&db=hlh&AN=98932225&site=ehost-live header: @attributes: shortDbName: hlh uiTerm: 98932225 longDbName: Humanities International Complete uiTag: AN controlInfo: bkinfo: jinfo: jid: 00027863 ACS jtl: Journal of the American Chemical Society issn: 00027863 maglogo: N pubinfo: dt: 9/24/2014 vid: 136 iid: 38 pid: 997 pub: American Chemical Society artinfo: ui: 98932225 10.1021/ja5056214 ppf: 13283 ppct: 6 formats: tig: atl: Hydrogen-Bonded Cyclic Water Clusters Nucleated on an Oxide Surface. aug: au: Kronawitter, Coleman X. Riplinger, Christoph Xiaobe He Zahl, Percy Carter, Emily A. Sutter, Peter Koel, Bruce E. affil: Department of Chemical & Biological Engineering, Princeton University, Princeton, New Jersey, United States Department of Mechanical & Aerospace Engineering, Program in Applied & Computational Mathematics, Princeton University, Princeton, New Jersey, United States Center for Functional Nanomaterials, Brookhaven National Laboratory, Upton, New York, United States Andlinger Center for Energy & the Environment, Princeton University, Princeton, New Jersey, United States su: Hydrogen bonding Crystal chemical bonds Electronic structure Density functional theory Stoichiometry sug: subj: Hydrogen bonding Crystal chemical bonds Electronic structure Density functional theory Stoichiometry ab: We report the observation and molecular-scale scanning probe electronic structure (dl/dV) mapping of hydrogen-bonded cyclic water clusters nucleated on an oxide surface. The measurements are made on a new type of cyclic water cluster that is characterized by simultaneous and cooperative bonding interactions among molecules as well as with both metal and oxygen sites of an oxide surface. Density functional theory + U + D calculations confirm the stability of these clusters and are used to discuss other potential water-oxide bonding scenarios. The calculations show that the spatial distributions of electronic states in the system are similar in character to those of the lowest unoccupied molecular orbitals of hydrogen-bonded water molecules. On the partially oxidized Cu(111) investigated here, experiment and theory together suggest that Cu vacancies in the growing islands of cuprous oxide inhibit water adsorption in the centers of the islands (which have reached thermodynamic equilibrium). A stoichiometric, less stable cuprous oxide likely exists at island edges (the growth front) and selectively binds these water clusters. pubtype: Academic Journal doctype: Article src: R language: English refInfo: copyright: @attributes: flag: Y dt: @attributes: year: 2014 holdings: @attributes: islocal: N |
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