Bonding and Aromaticity in Electron-Rich Boron and Aluminum Clusters

2021 ◽  
Vol 125 (6) ◽  
pp. 1367-1373
Author(s):  
Cina Foroutan-Nejad
Keyword(s):  
Aluminum Clusters

scholarly journals Argon tagging of doubly transition metal doped aluminum clusters: The importance of electronic shielding

2021 ◽  
Vol 154 (5) ◽  
pp. 054312
Author(s):  
Jan Vanbuel ◽  
Piero Ferrari ◽  
Meiye Jia ◽  
André Fielicke ◽  
Ewald Janssens
Keyword(s):  
Transition Metal ◽  
Aluminum Clusters ◽  
Metal Doped

Appearance size of poly-anionic aluminum clusters, Aln z-, z = 2–5*

2013 ◽  
Vol 67 (2) ◽  
Author(s):  
Franklin Martinez ◽  
Steffi Bandelow ◽  
Christian Breitenfeldt ◽  
Gerrit Marx ◽  
Lutz Schweikhard ◽  
...  
Keyword(s):  
Aluminum Clusters

OXIDATION PHASE DIAGRAM OF SMALL ALUMINUM CLUSTERS BASED ON FIRST-PRINCIPLES CALCULATIONS

2009 ◽  
Author(s):  
Ligen Wang ◽  
Maija M. Kuklja ◽  
Mark Elert ◽  
Michael D. Furnish ◽  
William W. Anderson ◽  
...  
Keyword(s):  
Phase Diagram ◽  
First Principles ◽  
First Principles Calculations ◽  
Aluminum Clusters

scholarly journals The viability of aluminum Zintl anion moieties within magnesium-aluminum clusters

2014 ◽  
Vol 140 (12) ◽  
pp. 124309 ◽  
Author(s):  
Haopeng Wang ◽  
Yeon Jae Ko ◽  
Xinxing Zhang ◽  
Gerd Gantefoer ◽  
Hansgeorg Schnoeckel ◽  
...  
Keyword(s):  
Aluminum Clusters

Evidence for octahedral shell structure in aluminum clusters

1992 ◽  
Vol 199 (5) ◽  
pp. 470-474 ◽  
Author(s):  
T.P. Martin ◽  
U. Näher ◽  
H. Schaber
Keyword(s):  
Shell Structure ◽  
Aluminum Clusters

FIRST-PRINCIPLES STUDY OF STRUCTURES AND ELECTRONIC PROPERTIES FOR NITRIDE-DOPED ALUMINUM CLUSTERS

2005 ◽  
Vol 19 (15n17) ◽  
pp. 2380-2385 ◽  
Author(s):  
BAOLIN WANG ◽  
DALING SHI ◽  
XIAOSHUANG CHEN ◽  
GUANGHOU WANG ◽  
JIJUN ZHAO
Keyword(s):  
Genetic Algorithm ◽  
Electronic Properties ◽  
Atomic Structure ◽  
Ground State ◽  
First Principles ◽  
Cluster Size ◽  
Aluminum Clusters ◽  
Structural And Electronic Properties ◽  
Ground State Structures ◽  
Homo Lumo

By using Gaussian98 package at BPW91 6-31g(d,p) level combined a genetic algorithm (GA) simulation, we have studied the lowest energy structural and electronic properties of the Al n N ( n =2-13) clusters. The ground-state structures, the charge transfers from Al to N site, HOMO-LUMO gap and the covalent, ionic and metallic nature with cluster size and atomic structure are investigated. Al 7 N , Al 9 N and Al 12 N cluster is found particularly stable among the Al n N clusters.

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