Dissociative Adsorption of Hydrogen on PdO(101) Studied by HRCLS and DFT

Natalia Martin; M. Van den Bossche; H. Gronbeck; C. Hakanoglu; Johan Gustafson; Sara Blomberg; Mohammad A Arman; A. Antony; R. Rai; A. Asthagiri; J. F. Weaver; Edvin Lundgren

doi:10.1021/jp4036698

Dissociative Adsorption of Hydrogen on PdO(101) Studied by HRCLS and DFT

Natalia Martin, M. Van den Bossche, H. Gronbeck, C. Hakanoglu, Johan Gustafson, Sara Blomberg, Mohammad A Arman, A. Antony, R. Rai, A. Asthagiri, J. F. Weaver, Edvin Lundgren

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Forskningsoutput: Tidskriftsbidrag › Artikel i vetenskaplig tidskrift › Peer review

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High-resolution core-level spectroscopy (HRCLS) and density functional theory (DFT) calculations have been used to investigate the adsorption and dissociation of hydrogen on a PdO(101) film grown on Pd(111). Energy-dependent measurements of the O 1s and Pd 3d(5/2) binding energies enable identification of surface components that correspond to undercoordinated Pd and O atoms. HRCLS data obtained at 110 K, after hydrogen exposure at the same temperature, reveal hydrogen adsorption and formation of Pd-H and O-H groups. Adsorption at room temperature results instead in complete reduction of the oxide. The experimental results are supported by the DFT calculations of core-level shifts and barriers for water formation.

Originalspråk	engelska
Sidor (från-till)	13510-13519
Tidskrift	Journal of Physical Chemistry C
Volym	117
Nummer	26
DOI	https://doi.org/10.1021/jp4036698
Status	Published - 2013

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Atom- och molekylfysik och optik (Här ingår: Kemisk fysik, kvantoptik)

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@article{00febd2adcb441baaff40f9b5c29ffc2,

title = "Dissociative Adsorption of Hydrogen on PdO(101) Studied by HRCLS and DFT",

abstract = "High-resolution core-level spectroscopy (HRCLS) and density functional theory (DFT) calculations have been used to investigate the adsorption and dissociation of hydrogen on a PdO(101) film grown on Pd(111). Energy-dependent measurements of the O 1s and Pd 3d(5/2) binding energies enable identification of surface components that correspond to undercoordinated Pd and O atoms. HRCLS data obtained at 110 K, after hydrogen exposure at the same temperature, reveal hydrogen adsorption and formation of Pd-H and O-H groups. Adsorption at room temperature results instead in complete reduction of the oxide. The experimental results are supported by the DFT calculations of core-level shifts and barriers for water formation.",

author = "Natalia Martin and {Van den Bossche}, M. and H. Gronbeck and C. Hakanoglu and Johan Gustafson and Sara Blomberg and Arman, {Mohammad A} and A. Antony and R. Rai and A. Asthagiri and Weaver, {J. F.} and Edvin Lundgren",

year = "2013",

doi = "10.1021/jp4036698",

language = "English",

volume = "117",

pages = "13510--13519",

journal = "Journal of Physical Chemistry C",

issn = "1932-7447",

publisher = "The American Chemical Society (ACS)",

number = "26",

}

TY - JOUR

T1 - Dissociative Adsorption of Hydrogen on PdO(101) Studied by HRCLS and DFT

AU - Martin, Natalia

AU - Van den Bossche, M.

AU - Gronbeck, H.

AU - Hakanoglu, C.

AU - Gustafson, Johan

AU - Blomberg, Sara

AU - Arman, Mohammad A

AU - Antony, A.

AU - Rai, R.

AU - Asthagiri, A.

AU - Weaver, J. F.

AU - Lundgren, Edvin

PY - 2013

Y1 - 2013

N2 - High-resolution core-level spectroscopy (HRCLS) and density functional theory (DFT) calculations have been used to investigate the adsorption and dissociation of hydrogen on a PdO(101) film grown on Pd(111). Energy-dependent measurements of the O 1s and Pd 3d(5/2) binding energies enable identification of surface components that correspond to undercoordinated Pd and O atoms. HRCLS data obtained at 110 K, after hydrogen exposure at the same temperature, reveal hydrogen adsorption and formation of Pd-H and O-H groups. Adsorption at room temperature results instead in complete reduction of the oxide. The experimental results are supported by the DFT calculations of core-level shifts and barriers for water formation.

AB - High-resolution core-level spectroscopy (HRCLS) and density functional theory (DFT) calculations have been used to investigate the adsorption and dissociation of hydrogen on a PdO(101) film grown on Pd(111). Energy-dependent measurements of the O 1s and Pd 3d(5/2) binding energies enable identification of surface components that correspond to undercoordinated Pd and O atoms. HRCLS data obtained at 110 K, after hydrogen exposure at the same temperature, reveal hydrogen adsorption and formation of Pd-H and O-H groups. Adsorption at room temperature results instead in complete reduction of the oxide. The experimental results are supported by the DFT calculations of core-level shifts and barriers for water formation.

U2 - 10.1021/jp4036698

DO - 10.1021/jp4036698

M3 - Article

SN - 1932-7447

VL - 117

SP - 13510

EP - 13519

JO - Journal of Physical Chemistry C

JF - Journal of Physical Chemistry C

IS - 26

ER -

Dissociative Adsorption of Hydrogen on PdO(101) Studied by HRCLS and DFT

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