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Effect of electronic structures on catalytic properties of CuNi alloy and Pd in MeOH-related reactions
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10.1063/1.4798932
/content/aip/journal/jcp/138/14/10.1063/1.4798932
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/14/10.1063/1.4798932

Figures

Image of FIG. 1.
FIG. 1.

Calculated valence DOS for Cu, Ni, CuNi solid solution, and Pd. Purple and brown lines inside DOS of the random CuNi represent local Cu and local Ni DOS, respectively.

Image of FIG. 2.
FIG. 2.

XRD patterns for Raney Cu, Raney Ni, and CuNi prepared by IMA.

Image of FIG. 3.
FIG. 3.

SEM micrographs of Raney Cu (a), CuNi prepared by IMA (b), and Raney Cu annealed at 500 °C (c). (Note that IMA-CuNi also treated at 500 °C for 12 h in H2 atmosphere.)

Image of FIG. 4.
FIG. 4.

XRD patterns for CuNi alloy annealed at various temperatures (a) and SEM micrograph (b) of CuNi after oxidation-reduction.

Image of FIG. 5.
FIG. 5.

XPS spectra of Raney Cu, Raney Ni, IMA-CuNi, and Raney Pd (a) and of Cu, Ni, CuNi alloy, and Pd plates (b).

Image of FIG. 6.
FIG. 6.

Production rates of H2 (a) and selectivities (b)–(d) of SRM over Raney Cu, Raney Ni, IMA-CuNi, and Raney Pd.

Image of FIG. 7.
FIG. 7.

Production rates of H2 of SRM over IMA-CuNi, Pd black, and Raney (Cu + Ni).

Image of FIG. 8.
FIG. 8.

Selectivities of SRM over IMA-CuNi (a), redox CuNi (b), (Raney Cu + Raney Ni) (c), and Pd black (d). Inset in (c) shows activity of SRM over redox CuNi.

Image of FIG. 9.
FIG. 9.

Bulk DOS and DOS of (111) surfaces for random CuNi (a) and Pd (b).

Image of FIG. 10.
FIG. 10.

Calculated DOS of (111) surfaces for random CuNi together with those for Ni (a) and Pd (b).

Tables

Generic image for table
Table I.

Surface area, production rate of H2, and selectivities of SRM at 360 °C over Raney Ni, Raney Cu, IMA-CuNi, redox-CuNi, Raney Pd, and Pd black. The surface areas were measured after reaction. Surface areas were obtained after exposure in reaction.

Generic image for table
Table II.

Surface area, production rate of H2, and selectivities in DM at 360 °C over Raney Ni, Raney Cu, IMA-CuNi, and Raney Pd. The surface areas were measured after reaction. Surface areas were obtained after exposure in reaction.

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/content/aip/journal/jcp/138/14/10.1063/1.4798932
2013-04-08
2014-04-24
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Effect of electronic structures on catalytic properties of CuNi alloy and Pd in MeOH-related reactions
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/14/10.1063/1.4798932
10.1063/1.4798932
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