Data File 4.csv

dispersion of the refractive indices of [EMIM][BrI2] measured at different angles of incidence at 20°

visualization_2_EMIMBrI2_into_In2O3_inv-opal.wmv

infiltration process of ionic liquid [EMIM][BrI2] into a In2O3 inverse opal photonic crysta

Data File 3.csv

dispersion of the refractive index of [EMIM][I5] at 20°

Data File 1.csv

dispersion of the refractive indices of six low index ionic liquid

visualization_1_BMIMBF4_into_PMMA_opal.mp4

infiltration process of ionic liquid [BMIM][BF4] into a PMMA opal photonic crysta

Data File 2.csv

dispersion of the refractive indices of [EMIM][BrI2] measured at three different temperature

Configuration of the Surface Atoms in Al_<i>N</i> (270 ≤ <i>N</i> ≤ 500) Clusters

Configuration of the surface atoms in aluminum clusters was investigated based on the structures with global minimum potential energy of some Al clusters in the size range of 270−500. The structures were optimized by the dynamic lattice searching with constructed cores (DLSc) method with the NP-B potential. In the optimized structures, all clusters are identified as truncated octahedra (TO) including three complete TO at Al260, Al314, and Al405. With the model of TO260 and TO405, the configurations of the surface atoms in the structures of the clusters from 261 to 314 and from 406 to 459 were investigated. The sites on (100) faces are found to be preferable to those on (111) faces for locating the new atoms with the increase of the cluster size, but for the clusters larger than 405 atoms, the sites on the (111) face are favored when the number of atoms exceeds the site number of a (100) face. Furthermore, the sites on the edge adjoining a (100) face and a (111) face are found to be very important to make a cluster more stable

Configuration of the Surface Atoms in Al_<i>N</i> (270 ≤ <i>N</i> ≤ 500) Clusters

Configuration of the surface atoms in aluminum clusters was investigated based on the structures with global minimum potential energy of some Al clusters in the size range of 270−500. The structures were optimized by the dynamic lattice searching with constructed cores (DLSc) method with the NP-B potential. In the optimized structures, all clusters are identified as truncated octahedra (TO) including three complete TO at Al260, Al314, and Al405. With the model of TO260 and TO405, the configurations of the surface atoms in the structures of the clusters from 261 to 314 and from 406 to 459 were investigated. The sites on (100) faces are found to be preferable to those on (111) faces for locating the new atoms with the increase of the cluster size, but for the clusters larger than 405 atoms, the sites on the (111) face are favored when the number of atoms exceeds the site number of a (100) face. Furthermore, the sites on the edge adjoining a (100) face and a (111) face are found to be very important to make a cluster more stable

Structural Optimization of Cu–Ag–Au Trimetallic Clusters by Adaptive Immune Optimization Algorithm

The putative global minimum structures of Cu–Ag–Au trimetallic clusters with 19 and 55 atoms are obtained by adaptive immune optimization algorithm (AIOA) with the Gupta potential. For the 19-atom trimetallic clusters, the results indicate that all of them have double-icosahedral motifs. For the optimized structures of Cu13AgnAu42–n (n = 1–41), the clusters can be categorized into 19 Mackay icosahedral structures, 1 6-fold pancake structure, and 21 ring-like structures linked by three face-sharing double-icosahedra. Furthermore, the segregation phenomena of the Cu, Ag, and Au atoms in the Cu–Ag–Au trimetallic clusters are studied to provide useful information for geometric character. Results show that Cu and Ag atoms prefer to locate in the inner-shell and on the surface, respectively, whereas Au atoms mainly locate in the middle-shell and tend to solve into Cu and Ag atoms

Growth Pattern of Truncated Octahedra in Al_<i>N</i> (<i>N</i> ≤ 310) Clusters

The growth sequence of aluminum clusters containing up to 310 atoms was studied. The interaction of aluminum atoms is modeled by the NP-B potential fitted by highly accurate electronic structure datum for aluminum clusters and nanoparticles. The putative global minimum structures of Al2−310 clusters are obtained by dynamic lattice searching (DLS) and DLS with constructed cores (DLSc) method. Lower energy structures of Al63 and Al64 were found in comparison with the previously reported Al2−65 clusters. In the optimized structures of Al63−310, all clusters are identified as truncated octahedra (TO) except for five decahedral structures at Al64, Al72, Al74, Al76, and Al101, four stacking fault face-centered cubic structures at Al91, Al99, Al129, and Al135, and one icosahedron at Al147. Therefore, the structural transition from small clusters to bulk metal may occur around Al65. At the same time, the results show that aluminum clusters adopt TO growth pattern, and the growth is found to be based on six complete TO at Al38, Al79, Al116, Al140, Al201, and Al260