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The new face of rhodium alloys: revealing ordered structures from first principles.

Publication ,  Journal Article
Levy, O; Chepulskii, RV; Hart, GLW; Curtarolo, S
Published in: Journal of the American Chemical Society
January 2010

The experimental and computational data on rhodium binary alloys is sparse despite its importance in numerous applications, especially as an alloying agent in catalytic materials. Half of the Rh-transition metal systems (14 out of 28) are reported to be phase separating or are lacking experimental data. Comprehensive high-throughput first-principles calculations predict stable ordered structures in 9 of those 14 binary systems. They also predict a few unreported compounds in the known compound-forming systems. These results indicate the need for an extensive revision of our current understanding of Rh alloys through a combination of theoretical predictions and experimental validations.

Duke Scholars

Published In

Journal of the American Chemical Society

DOI

EISSN

1520-5126

ISSN

0002-7863

Publication Date

January 2010

Volume

132

Issue

2

Start / End Page

833 / 837

Related Subject Headings

  • General Chemistry
  • 40 Engineering
  • 34 Chemical sciences
  • 03 Chemical Sciences
 

Citation

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Chicago
ICMJE
MLA
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Levy, O., Chepulskii, R. V., Hart, G. L. W., & Curtarolo, S. (2010). The new face of rhodium alloys: revealing ordered structures from first principles. Journal of the American Chemical Society, 132(2), 833–837. https://doi.org/10.1021/ja908879y
Levy, Ohad, Roman V. Chepulskii, Gus L. W. Hart, and Stefano Curtarolo. “The new face of rhodium alloys: revealing ordered structures from first principles.Journal of the American Chemical Society 132, no. 2 (January 2010): 833–37. https://doi.org/10.1021/ja908879y.
Levy O, Chepulskii RV, Hart GLW, Curtarolo S. The new face of rhodium alloys: revealing ordered structures from first principles. Journal of the American Chemical Society. 2010 Jan;132(2):833–7.
Levy, Ohad, et al. “The new face of rhodium alloys: revealing ordered structures from first principles.Journal of the American Chemical Society, vol. 132, no. 2, Jan. 2010, pp. 833–37. Epmc, doi:10.1021/ja908879y.
Levy O, Chepulskii RV, Hart GLW, Curtarolo S. The new face of rhodium alloys: revealing ordered structures from first principles. Journal of the American Chemical Society. 2010 Jan;132(2):833–837.
Journal cover image

Published In

Journal of the American Chemical Society

DOI

EISSN

1520-5126

ISSN

0002-7863

Publication Date

January 2010

Volume

132

Issue

2

Start / End Page

833 / 837

Related Subject Headings

  • General Chemistry
  • 40 Engineering
  • 34 Chemical sciences
  • 03 Chemical Sciences