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First-principles study of the adsorption of oxygen atoms on copper nanowires

โœ Scribed by LiangCai Ma; JianMin Zhang; KeWei Xu

Book ID
118814441
Publisher
Science in China Press (SCP)
Year
2012
Tongue
English
Weight
621 KB
Volume
55
Category
Article
ISSN
1672-1799

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## Abstract The positions of the interstitial oxygen atoms in PbWO~4~ (PWO) crystal are simulated by computer technologies. It was found that the formation energy of isolated point defects is low when interstitial oxygen atoms exist around the W^6+^ ion. Based on the computed results, the total den