Oxygen species on the silver surface oxidized by MW-discharge: Study by photoelectron spectroscopy and DFT model calculations
作者： Lidiya S. Kibis , Vasilii I. Avdeev , Sergei V. Koscheev , Andrei I. Boronin
DOI: 10.1016/J.SUSC.2010.03.035
关键词:
摘要: Abstract A polycrystalline silver surface has been studied by synchrotron radiation photoelectron spectroscopy after deep oxidation microwave discharge in an O2 atmosphere. Oxidized structures with high oxygen content, AgOx x > 1, have found on the at 300–400 K. The line shapes observed O1s spectra were decomposed into five components and indicated that complex oxidized species formed. An analysis of binding energies, Еb(O1s), greater than 530 eV pointed to presence both Ag–O O–O bonds. We carried out a detailed experimental study valence band wide spectral range (up 35 eV), which allowed us register multicomponent structure below Ag4d band. These features assigned formation bonds composed molecular (associative) species. DFT model calculations showed saturation defect leads associative species, such as superoxides, electrophilic properties covalent bonding. stability oxygen-rich structures, AgOx, can be explained small particles during intensive MW oxidation, stabilize
harvard.edu
elsevier.com
sci-hub.se 参考文章(97)
A. S. Knyazev, A. I. Boronin, S. V. Koshcheev, A. N. Salanov, O. V. Vodyankina, L. N. Kurina, Surface State of a Silver Catalyst for Ethylene Glycol Oxidation Kinetics and Catalysis. ,vol. 44, pp. 408- 413 ,(2003) , 10.1023/A:1024403220572
Luchezar Petrov, Alexander Eliyas, Christo Maximov, Dimiter Shopov, Ethylene oxide oxidation over a supported silver catalyst: I. Kinetics of uninhibited oxidation Applied Catalysis. ,vol. 41, pp. 23- 38 ,(1988) , 10.1016/S0166-9834(00)80379-6
David S. Sholl, Janice A. Steckel, Density Functional Theory: A Practical Introduction ,(2009)
E. J. Casey, W. J. Moroz, ON THE FORMATION OF "Ag2O3" ON SILVER ELECTRODES Canadian Journal of Chemistry. ,vol. 43, pp. 1199- 1214 ,(1965) , 10.1139/V65-157
E. M. Slavinskaya, Yu. A. Chesalov, A. I. Boronin, I. A. Polukhina, A. S. Noskov, In situ IR Spectroscopic and XPS Study of Surface Complexes and Their Transformations during Ammonia Oxidation to Nitrous Oxide over an Mn-Bi-O/α-Al2O3 Catalyst Kinetics and Catalysis. ,vol. 46, pp. 555- 564 ,(2005) , 10.1007/S10975-005-0109-5
P. G. Dickens, R. Heckingbottom, J. W. Linnett, Oxidation of metals and alloys. Part 2.—Oxidation of metals by atomic and molecular oxygen Trans. Faraday Soc.. ,vol. 65, pp. 2235- 2247 ,(1969) , 10.1039/TF9696502235
Simone Piccinin, Catherine Stampfl, Matthias Scheffler, First-principles investigation of Ag-Cu alloy surfaces in an oxidizing environment Physical Review B. ,vol. 77, pp. 075426- ,(2008) , 10.1103/PHYSREVB.77.075426
R.W. Joyner, M.W. Roberts, A study of the adsorption of oxygen on silver at high pressure by electron spectroscopy Chemical Physics Letters. ,vol. 60, pp. 459- 462 ,(1979) , 10.1016/0009-2614(79)80612-0
Walter J. Stevens, Harold Basch, Morris Krauss, Compact effective potentials and efficient shared‐exponent basis sets for the first‐ and second‐row atoms The Journal of Chemical Physics. ,vol. 81, pp. 6026- 6033 ,(1984) , 10.1063/1.447604
R. Krishnan, J. S. Binkley, R. Seeger, J. A. Pople, Self‐consistent molecular orbital methods. XX. A basis set for correlated wave functions Journal of Chemical Physics. ,vol. 72, pp. 650- 654 ,(1980) , 10.1063/1.438955