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4.4. XPSMODELEDUSINGDFT 77 6 7 8 12 4 3 9 5 Figure 4.20: The relaxed bulk structures of RuO2 (1) , RuO4 (2), RuOOH (3, based on FeOOH), RuO(OH)2 (4, based on RuOCl2), Ru(OH)3 (5, based on Al(OH)3 in the Gibbsite structure), the second Ru(OH)3 structure (6, based on arbitrary place- ment of OH around Ru in a periodic cell) and its more stable form found through minima hopping (7), ruthenium carbide (RuC, 8) and finally ruthenium metal in the hcp structure (9). Red circles represent oxygen, white circles hydrogen, green spheres ruthenium and grey spheres carbon. The (001) surface of the Gibbsite-like structure (5) is obtained by making a cut between two Ru-O-H layers.PDF Image | Studies of Electrode Processes in Industrial Electrosynthesis
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