Investigation of H2 and H2S adsorption on niobium- and copper-doped palladium surfaces

Journal of Physical Chemistry B

Volumn 114, Issue 40, 2010, Pages 12851-12858

  Ozdogan, Ekin ^a   Wilcox, Jennifer ^a  

^a STANFORD UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORBATES; ADSORPTION; ATOMS; DENSITY FUNCTIONAL THEORY; DOPING (ADDITIVES); ELECTRONIC STRUCTURE; NIOBIUM; NIOBIUM COMPOUNDS; SULFUR;

ADSORPTION BEHAVIOR; ADSORPTION STRENGTH; BINDING STRENGTH; CU SURFACES; D ORBITALS; D-BAND CENTERS; DOPANT METALS; EFFECT OF DOPING; ELECTRONIC STRUCTURE CALCULATIONS; HYDROGEN ATOMS; LOCAL DENSITY OF STATE; PLANE WAVE DENSITY FUNCTIONAL THEORY; SULFUR ATOMS; SULFUR POISONING; SURFACE COMPLEX; SURFACE INTERACTIONS;

PALLADIUM;

EID: 77957857213     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp105469c     Document Type: Article

References (29)

1. Han, C.; Harrison, D. P. Chem. Eng. Sci. 1994, 49 (24B) 5875-5883
2. Cormos, C. C.; Starr, F.; Tzimas, E.; Peteves, S. Int. J. Hydrogen Energy 2008, 33, 1286-1294
3. Jewett, D. N.; Makrides, A. C. Trans. Faraday Soc. 1965, 61, 932-939
4. Løvvik, O. M.; Olsen, R. A. Phys. Rev. B 1998, 58 (16) 10890-10898
5. Ozawa, N.; Arboleda, N. B., Jr.; Roman, T. A.; Nakanishi, H.; Diño, W. A.; Kasai, H. J. Phys.: Condens. Matter. 2007, 19, 365214-365225
6. Conrad, H.; Ertl, G.; Latta, E. E. Surf. Sci. 1974, 41, 435-446
7. Alptekin, G.; DeVoss, S.; Dubovik, M.; Monroe, J.; Amalfitano, R.; Israelson, G. J. Mater. Eng. Perform. 2006, 15 (4) 433-438
8. Criscuoli, A.; Basile, A.; Drioli, E.; Loiacono, O. J. Membr. Sci. 2001, 181 (1) 21-27
9. Morreale, B. D.; Howard, B. H.; Iyoha, O.; Enick, R. M.; Ling, C.; Sholl, D. S. Ind. Eng. Chem. Res. 2007, 46 (19) 6313-6319
10. Pomerantz, N.; Ma, Y. H. Ind. Eng. Chem. Res. 2009, 48 (8) 4030-4039
11. Morreale, B. D.; Ciocco, M. V.; Howard, B. H.; Killmeyer, R. P.; Cugini, A. V.; Enick, R. M. J. Membr. Sci. 2004, 241, 219-224
12. Alfonso, D. R.; Cugini, A. V.; Sholl, D. S. Surf. Sci. 2003, 546 (1) 12-26
13. Sonwane, C. G.; Wilcox, J.; Ma, Y. H. J. Chem. Phys. 2006, 125 (184714) 1-10
14. U.S. Geological survey, http://minerals.usgs.gov/minerals/pubs/commodity/ gold/mcs2010-gold.pdf, August 2010.
15. U.S. Geological survey, http://minerals.usgs.gov/minerals/pubs/commodity/ niobium/mcs-2010-niobi.pdf, August 2010.
16. Phair, J. W.; Donelson, R. Ind. Eng. Chem. Res. 2006, 45 (16) 5657-5674
17. Buxbaum, R. E.; Marker, T. L. J. Membr. Sci. 1993, 85 (1) 29-38
18. Komiya, K.; Shinzato, Y.; Yukawa, H.; Morinaga, M.; Yasuda, I. J. Alloys Compd. 2005, 404 - 406, 257-260
19. Kresse, G.; Hafner, J. Phys. Rev. B 1994, 49, 14251-14269
20. Methfessel, M.; Paxton, A. T. Phys. Rev. B 1989, 40 (6) 3616-3621
21. Chandrasekharaiah, M. S. Bull. Alloy Phase Diagr. 1988, 9, 4-449
22. Rodriguez, J. A.; Goodman, D. W. Science 1992, 257 (5072) 897-903
23. Holmblad, P. M.; Hvolbæk Larsen, J.; Chorkendorff, I.; Pleth Nielsen, L.; Besenbacher, F.; Stensgaard, I; Lægsgaard, E.; Kratzer, P.; Hammer, B.; Nørskov, J. K. Catal. Lett. 1996, 40, 131-135
24. Ruban, A.; Hammer, B.; Stoltze, P.; Skriver, H. L.; Nørskov, J. K. J. Mol. Catal. A: Chem. 1997, 3 (115) 421-429
25. Pallasana, V.; Neurock, M.; Hansen, L. B.; Nørskov, J. K. J. Chem. Phys. 2000, 112, 5435-5440
26. Hammer, B.; Nørskov, J. K. Adv. Catal. 2000, 45, 71-129
27. Alfonso, D. R.; Cugini, A. V.; Sorescu, D. R. Catal. Today 2005, 99 (3 - 4) 315-322
28. Ling, C.; Sholl, D. S. J. Membr. Sci. 2007, 303 (1 - 2) 162-172
29. Dong, W.; Hafner, J. Phys. Rev. B 1997, 56 (23) 15396-15402