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Cluster modelling of core electron photoabsorption of CO adsorbed on Cu(100)

✍ Scribed by Lars G.M. Pettersson; Hans Ågren; Olav Vahtras; Vincenzo Carravetta

Book ID
116068756
Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
875 KB
Volume
365
Category
Article
ISSN
0039-6028

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Vibrations of CO on strained Cu(100) sur
Vibrations of CO on strained Cu(100) surfaces. A cluster model analysis
✍ Jordi Casanovas; Gianfranco Pacchioni 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 500 KB

The dependence of the vibrational stretching frequency, toe, of CO adsorbed on compressed or expanded Cu(lO0) layers has been studied theoretically by means of ab initio cluster model wavefunctions. It is found that even moderate changes in the surface distances result in measurable shifts in toe(CO