Home Seminários Details - Olga Lopez-Acevedo: Protected metallic clusters

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Event 

Title:
Olga Lopez-Acevedo: Protected metallic clusters
When:
25.08.2011 11.00 h
Where:
Matéria Condensada Teórica - Niterói
Category:
Seminários

Description

Electronic structure and related properties of protected metallic clusters
Olga Lopez-Acevedo (Jyvaskyla, Finlândia)



Crystal structure determination of a member of the family of gold Monolayer Protected Clusters opened the unique possibility to obtain via Density Functional Theory their precise electronic structure [1]. The super-atom model [2] and recent extensions have shown that electronic shell models not only apply to bare clusters but also to gold clusters protected by either gold-thiolate oligomeric semi-rings, halide atoms [2], iron-carbonyl units [3] and is still valid even for bi-metallic gold-transition metal and aluminum and gallium cores [7,8]. Various physico-chemical properties directly related to the electronic structure have been simulated and explained. I will review the present knowledge of such properties including chiroptical activity and catalytic reactivity [10] .

[1] Jadzinsky P. et al Science 318, 430-433 (2007).
[2] Walter, M. et al. Proc. Natl. Acad. Sci. USA 105, 9157-9162 (2008).
[6] O. Lopez-Acevedo et al J. Am. Chem. Soc, 131 (35), 12573 (2009)
[7] K. A. Kacprzak et al Phys. Chem. Chem. Phys., 11 (33), 7123 (2009)
[8] O. Lopez-Acevedo et al, Phys Rev B  035434 (2011).
[10] O. Lopez-Acevedo et al Nature Chemistry, 2, 329 (2010)

 

 

 

 

 

 

 

 

Venue

Group:
Matéria Condensada Teórica
Street:
IF-UFF
ZIP:
24210-346
City:
Niterói
State:
RJ
Country:
Country: br

Description

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