Site-Dependent Activity of Atomic Ti Catalysts in Al-Based Hydrogen Storage Materials.

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Title: Site-Dependent Activity of Atomic Ti Catalysts in Al-Based Hydrogen Storage Materials.
Authors: Al-Mahboob, Abdullah1, Muller, Erik1, Karim, Altaf2, Muckerman, James T.2, Ciobanu, Cristian V.3, Sutter, Peter1 psutter@bnl.gov
Source: Journal of the American Chemical Society. 6/27/2012, Vol. 134 Issue 25, p10381-10384. 4p.
Subjects: Titanium catalyst activity, Hydrogen storage, Aluminum, Hydrogenation, Doping agents (Chemistry), Dissociation (Chemistry)
Abstract: Doping catalytically inactive materials with dispersed atoms of an active species is a promising route toward realizing ultradilute binary catalyst systems. Beyond catalysis, strategically placed metal atoms can accelerate a wide range of solid-state reactions, particularly in hydrogen storage processes. Here we analyze the role of atomic Ti catalysts in the hydrogenation of Al-based hydrogen storage materials. We show that Ti atoms near the Al surface activate gas-phase H2 a key step toward hydrogenation. By controlling the placement of Ti, we have found that the overall reaction, comprising H2 dissociation and H spillover onto the Al surface, is governed by a pronounced trade-off between lowering of the H2 dissociation barrier and trapping of the products near the active site, with a sharp maximum in the overall activity for Ti in the subsurface layer. Our findings demonstrate the importance of controlling the placement of the active species in optimizing the activity of dilute binary systems. [ABSTRACT FROM AUTHOR]
Copyright of Journal of the American Chemical Society is the property of American Chemical Society and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
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Items – Name: Title
  Label: Title
  Group: Ti
  Data: Site-Dependent Activity of Atomic Ti Catalysts in Al-Based Hydrogen Storage Materials.
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  Label: Authors
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  Data: <searchLink fieldCode="AR" term="%22Al-Mahboob%2C+Abdullah%22">Al-Mahboob, Abdullah</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Muller%2C+Erik%22">Muller, Erik</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Karim%2C+Altaf%22">Karim, Altaf</searchLink><relatesTo>2</relatesTo><br /><searchLink fieldCode="AR" term="%22Muckerman%2C+James+T%2E%22">Muckerman, James T.</searchLink><relatesTo>2</relatesTo><br /><searchLink fieldCode="AR" term="%22Ciobanu%2C+Cristian+V%2E%22">Ciobanu, Cristian V.</searchLink><relatesTo>3</relatesTo><br /><searchLink fieldCode="AR" term="%22Sutter%2C+Peter%22">Sutter, Peter</searchLink><relatesTo>1</relatesTo><i> psutter@bnl.gov</i>
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  Data: <searchLink fieldCode="JN" term="%22Journal+of+the+American+Chemical+Society%22">Journal of the American Chemical Society</searchLink>. 6/27/2012, Vol. 134 Issue 25, p10381-10384. 4p.
– Name: Subject
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  Data: <searchLink fieldCode="DE" term="%22Titanium+catalyst+activity%22">Titanium catalyst activity</searchLink><br /><searchLink fieldCode="DE" term="%22Hydrogen+storage%22">Hydrogen storage</searchLink><br /><searchLink fieldCode="DE" term="%22Aluminum%22">Aluminum</searchLink><br /><searchLink fieldCode="DE" term="%22Hydrogenation%22">Hydrogenation</searchLink><br /><searchLink fieldCode="DE" term="%22Doping+agents+%28Chemistry%29%22">Doping agents (Chemistry)</searchLink><br /><searchLink fieldCode="DE" term="%22Dissociation+%28Chemistry%29%22">Dissociation (Chemistry)</searchLink>
– Name: Abstract
  Label: Abstract
  Group: Ab
  Data: Doping catalytically inactive materials with dispersed atoms of an active species is a promising route toward realizing ultradilute binary catalyst systems. Beyond catalysis, strategically placed metal atoms can accelerate a wide range of solid-state reactions, particularly in hydrogen storage processes. Here we analyze the role of atomic Ti catalysts in the hydrogenation of Al-based hydrogen storage materials. We show that Ti atoms near the Al surface activate gas-phase H2 a key step toward hydrogenation. By controlling the placement of Ti, we have found that the overall reaction, comprising H2 dissociation and H spillover onto the Al surface, is governed by a pronounced trade-off between lowering of the H2 dissociation barrier and trapping of the products near the active site, with a sharp maximum in the overall activity for Ti in the subsurface layer. Our findings demonstrate the importance of controlling the placement of the active species in optimizing the activity of dilute binary systems. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of Journal of the American Chemical Society is the property of American Chemical Society and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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RecordInfo BibRecord:
  BibEntity:
    Identifiers:
      – Type: doi
        Value: 10.1021/ja304203y
    Languages:
      – Code: eng
        Text: English
    PhysicalDescription:
      Pagination:
        PageCount: 4
        StartPage: 10381
    Subjects:
      – SubjectFull: Titanium catalyst activity
        Type: general
      – SubjectFull: Hydrogen storage
        Type: general
      – SubjectFull: Aluminum
        Type: general
      – SubjectFull: Hydrogenation
        Type: general
      – SubjectFull: Doping agents (Chemistry)
        Type: general
      – SubjectFull: Dissociation (Chemistry)
        Type: general
    Titles:
      – TitleFull: Site-Dependent Activity of Atomic Ti Catalysts in Al-Based Hydrogen Storage Materials.
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            NameFull: Al-Mahboob, Abdullah
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            NameFull: Muller, Erik
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            NameFull: Karim, Altaf
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            NameFull: Muckerman, James T.
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            NameFull: Ciobanu, Cristian V.
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            NameFull: Sutter, Peter
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            – D: 27
              M: 06
              Text: 6/27/2012
              Type: published
              Y: 2012
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