TY - JOUR
T1 - Stable aluminum and chromium oxide clusters as precursors to nanoscale materials
AU - Morisato, T.
AU - Jones, N. O.
AU - Khanna, S. N.
AU - Kawazoe, Y.
N1 - Funding Information:
The authors are grateful to United States Department of Energy (Grant DE-FG02-02ER46009) for financial support.
PY - 2006/3
Y1 - 2006/3
N2 - It is shown that by using specific physical and chemical criterion, it is possible to identify clusters with interesting properties that are highly stable and fairly rigid so that they are likely to form extended structures maintaining their identity and properties. The first area involves the chemical control of the electronic affinity and magnetic behavior of chromium oxide clusters. Here, we show that fully coordinated CrnO3n clusters are extremely stable and could form ionic molecules when combined with alkali atoms. The second area relates to aluminum based clusters where it has been shown that by reacting aluminum clusters with HI, it is possible to form very stable Al13I- clusters. Here we discuss why such a reaction with HCl does not produce, Al13Cl- and how the stability of these clusters is governed by electronic shell structure of a nearly free electron system.
AB - It is shown that by using specific physical and chemical criterion, it is possible to identify clusters with interesting properties that are highly stable and fairly rigid so that they are likely to form extended structures maintaining their identity and properties. The first area involves the chemical control of the electronic affinity and magnetic behavior of chromium oxide clusters. Here, we show that fully coordinated CrnO3n clusters are extremely stable and could form ionic molecules when combined with alkali atoms. The second area relates to aluminum based clusters where it has been shown that by reacting aluminum clusters with HI, it is possible to form very stable Al13I- clusters. Here we discuss why such a reaction with HCl does not produce, Al13Cl- and how the stability of these clusters is governed by electronic shell structure of a nearly free electron system.
KW - Aluminum clusters
KW - Building blocks
KW - Chromium oxide clusters
KW - Electronic structure
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U2 - 10.1016/j.commatsci.2004.09.061
DO - 10.1016/j.commatsci.2004.09.061
M3 - Article
AN - SCOPUS:28444437661
VL - 35
SP - 366
EP - 370
JO - Computational Materials Science
JF - Computational Materials Science
SN - 0927-0256
IS - 3
ER -