Thermochemical Property Estimation of Hydrogenated Silicon Clusters

2011 ◽  
Vol 115 (32) ◽  
pp. 8969-8982 ◽  
Author(s):  
Andrew J. Adamczyk ◽  
Linda J. Broadbelt
Keyword(s):  
Thermochemical Property ◽  
Silicon Clusters ◽  
Hydrogenated Silicon ◽  
Property Estimation

Theoretical study of the structural evolution of small hydrogenated silicon clusters: Si6Hx

1996 ◽  
Vol 261 (3) ◽  
pp. 346-352 ◽  
Author(s):  
Takehide Miyazaki ◽  
Tsuyoshi Uda ◽  
Ivan Štich ◽  
Kiyoyuki Terakura
Keyword(s):  
Theoretical Study ◽  
Structural Evolution ◽  
Silicon Clusters ◽  
Hydrogenated Silicon

Structure of hydrogenated silicon clusters. Medium-sized clusters

1999 ◽  
Vol 40 (4) ◽  
pp. 503-508
Author(s):  
V. P. Meleshko ◽  
Yu. N. Morokov ◽  
V. A. Shveigert
Keyword(s):  
Silicon Clusters ◽  
Hydrogenated Silicon

ELECTRONIC AND OPTICAL PROPERTIES OF HYDROGENATED SILICON CLUSTERS

1996 ◽  
Vol 03 (01) ◽  
pp. 127-131 ◽  
Author(s):  
T. UDA
Keyword(s):  
Optical Properties ◽  
Density Functional ◽  
Energy Gap ◽  
Lattice Relaxation ◽  
Transition Elements ◽  
Silicon Clusters ◽  
Hydrogenated Silicon ◽  
Electronic And Optical Properties ◽  
Relaxation Temperature ◽  
Structurally Stable

Pseudopotential density-functional calculations of structural, electronic, and optical properties of nanoscale silicon clusters are presented. Perfectly hydrogen-saturated clusters are found to be structurally stable. The energy gap shows substantial blueshift and the dipole transition across the gap is allowed. The effect of dehydrogenation upon transition elements is examined, taking into account the lattice relaxation. Temperature dependence of luminescence intensity is also investigated.

Size-dependent oxidation of hydrogenated silicon clusters

2002 ◽  
Vol 80 (22) ◽  
pp. 4223-4225 ◽  
Author(s):  
R. Q. Zhang ◽  
W. C. Lu ◽  
S. T. Lee
Keyword(s):  
Silicon Clusters ◽  
Hydrogenated Silicon ◽  
Size Dependent
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