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The high temperature vibrational entropy of (001) surfaces of ionic crystals—Effects of relaxation and rumpling

✍ Scribed by J.A.D. Matthew; P.G. Cowell

Book ID
118984114
Publisher
Elsevier Science
Year
1981
Tongue
English
Weight
310 KB
Volume
107
Category
Article
ISSN
0039-6028

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We report theoretical results for the bonding of NO to a singly coordinated Cut cation of the Cu,O(l 11) surface. The effect of the surface relaxation and of the rumpling of coordinatively unsaturated cations on the energy and bonding nature of the interaction and on the vibrational spectrum has bee