Using a first-principles pseudo-potential plane wave method, the geometrical and electronic structures of Aln (n=3, 4, 6, 13, 19) clusters with different configurations have been calculated. Several parameters such as the binding energy Eb and the HOMO-LUMO energy gap 鈻矱H-L have been ...
The structure, electronic state and stability of nitrogen-doped aluminum clusters 2004, Journal of Molecular Structure: THEOCHEM more Zhen-Yi Jiang, Wen-Jin Ma, Hai-Shun Wu, Zhi-Hao Jin The structure, electronic state and stability of nitrogen-doped aluminum clusters Journal of Molecular Structure...
2) (AlN) n clusters (AlN)n团簇3) n-GaN materials n-GaN材料4) Si basedn-GaN Si基n-GaN5) n-GaN n型GaN 1. Study on electrical properties of n-GaN grown at low temperature by metal-organic vapor phase epitaxy; MOVPE低温生长的n型GaN电学特性研究 更多例句>> 6) GaN/AlN ...
This indicates that the tensile strain of small AlN clusters is larger than that of large clusters during the coalescence. The larger elongation of the corner bonds on nanowires is due to a higher degree of freedom of the corner atoms. Compared to the atoms on the infinite surface, the ...
$4 is the number of clusters for kmeans clustering. The analysis result will be stored in /work/sp/analyze.16, i.e., the output directory plus the epoch number you analyzed, using the above command. You can find the UMAP with the labeled kmeans centers in /work/sp/analyze.16/kmeans...
Abstract:The evolution of configurations of Aln(n=3,4,6,13,19) clusters were investigated using linear synchronous transit (LST) method. The stable structures of Al3, Al4, Al6, Al13, Al19clusters were confirmed to be triangle, rhombus, octahedron, icosahedron and double icosahedron, respective...
To mitigate undesirable dendrite growth and the unstable Li/electrolyte interface, LLA based on AlN nano-clusters with uniform Li9Al4-Li3N decoration was synthesized as a stable Li metal host. Through the electrochemical lithiation process of AlN particles, an LLA structure with porosity ~ 78% was...
Density functional theory study on the Fig.3 Calculated elastic moduli of characteristic plane (101) structure and properties of Al8P8 clusters[J]. Acta Phys Chim, for zinc-blende AlN, AlP and AlAs 2005, 21( 12): 1368−1372. [4] WANG X, VANDERBILT D. First-principles perturbation of ...
$4 is the number of kmeans clusters (or principal component) you used in analysis $5 is the apix of the generated volumes, you can specify a target value change to directory/work/sp/analyze.16/kmeans16to checkout the reference*.mrc, which are the reconstructions correspond to the cluster...
The evolution of the equilibrium geometry, binding energy, and electronic structure of AlnN clusters has been studied using first-principles cal... S.,K.,Nayak,... - 《Physical Review B》 被引量: 132发表: 1998年 Temperature dependence of the sticking probability and molecular size of the fi...