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Gan LY, Tian RY, Yang XB, et al. Interaction between NO and Na, O, S, Cl on Au and Pd(111) surfaces. Phys Chem Chem Phys. 2011;13(32):14466-75doi: 10.1039/c1cp20974d.
Gan, L. Y., Tian, R. Y., Yang, X. B., Peng, S. L., & Zhao, Y. J. (2011). Interaction between NO and Na, O, S, Cl on Au and Pd(111) surfaces. Physical chemistry chemical physics : PCCP, 13(32), 14466-75. https://doi.org/10.1039/c1cp20974d
Gan, Li-Yong, et al. "Interaction between NO and Na, O, S, Cl on Au and Pd(111) surfaces." Physical chemistry chemical physics : PCCP vol. 13,32 (2011): 14466-75. doi: https://doi.org/10.1039/c1cp20974d
Gan LY, Tian RY, Yang XB, Peng SL, Zhao YJ. Interaction between NO and Na, O, S, Cl on Au and Pd(111) surfaces. Phys Chem Chem Phys. 2011 Aug 28;13(32):14466-75. doi: 10.1039/c1cp20974d. Epub 2011 Jul 07. PMID: 21735006.
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Phys Chem Chem Phys. 2011 Aug 28;13(32):14466-75. doi: 10.1039/c1cp20974d. Epub 2011 Jul 07.

Interaction between NO and Na, O, S, Cl on Au and Pd(111) surfaces.

Physical chemistry chemical physics : PCCP

Li-Yong Gan, Ren-Yu Tian, Xiao-Bao Yang, Song-Lin Peng, Yu-Jun Zhao

Affiliations

  1. Department of Physics, South China University of Technology, Guangzhou 510640, P. R. China.

PMID: 21735006 DOI: 10.1039/c1cp20974d

Abstract

NO co-adsorption with X (X = Na, O, S, and Cl) on Au and Pd(111) surfaces is studied using density functional theory (DFT) calculations to get a deeper insight into the extraordinary sulfur enhanced adsorption on the Au surface. It is found that both electronegative and electropositive adatoms can enhance NO adsorption on Au(111). In Na + NO/Au(111), the strong electrostatic attraction between Na and NO dominates and stabilizes NO adsorption, though Na-induced surface negative charging weakens NO adsorption. In (O, S, Cl) + NO/Au, the electronegative atoms would induce a slight surface distortion and enhance NO adsorption accordingly. NO adsorption on Pd(111) is enhanced by Na, but weakened by electronegative species. We suggest that the unique features of noble metals, i.e., the narrow DOS at the Fermi level (E(F)) and the deep buried d-band center, should play an important role in the promotion of NO adsorption on their surface as the CO case.

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