Nanocluster-Assembled Materials

Structure prediction of crystals, surfaces and nanoparticles

“…The third example shown in figure 4 illustrates a different mode of structure generation, in this case of a small-pore nano-porous structure, where direct bonding between T-sites greatly reduces the size of the cavities to create the metastable body-centred tetragonal (BCT) structure of ZnS. There are, however, also examples of crystal structure prediction of nano-porous ZnO [100] and SiC [101] that have larger cavities (figure 5) which are constructed from secondary building units [102]. The framework topologies of silicas, or more generally zeolites, have also been exploited in the prediction of MOFs where organic molecules form the bridging units and thus much larger cavities; see, for example, the work on zeolitic imidazolate frameworks where the T-sites contain Zn [103].…”

Exploration on Electronic Properties of Self-Assembled Indium Nitrogen Nanosheets and Nanowires by a Density Functional Method

“…In order to develop future novel nanomaterials, the semiconducting nanostructures of materials play key roles because they uncover unique behaviors and possess widespread potential applications in energy materials and electronic and optoelectronic nanodevices [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16][17][18]. In particular, self-assembled nanowires, which can address fundamental issues related to dimensionality, have widespread applications in optoelectronic and nano-electronic devices.…”

“…In particular, self-assembled nanowires, which can address fundamental issues related to dimensionality, have widespread applications in optoelectronic and nano-electronic devices. The interesting properties of size-specific self-assembled nanosheets or clusterassembled nanowires [6,8,12] allow new nanomaterials and nanodevices to be generated that can be applied to different nanoscience fields [1][2][3]6,8,[10][11][12][13][14][15][16][17][18][19][20][21]. The individual properties of the magic stable cluster being used as a building unit for these self-assembled nanosheets, nanowires, or nanomembranes are actually maintained.…”

“…However, these self-assembled nanostructures hold unique electronic properties and may acquire different properties or functions that differ from those observed for macroscale counterpart materials. The specific geometrical forms and electronic properties of self-assembled nanostructures have very important potential applications in energy nanomaterials and electronic nanomaterials [1,[10][11][12][13][14][15][16][17][18][19][20][21]. Thus, semiconductor structured nanomaterials hold the potential to promote advancements in the rapidly growing technological fields.…”

“…It has been found that metal oxides (ZnO, Al 2 O 3 , and MgO), metal sulfides (Cu 3 S 3 , CdS, and ZnS), and transition metal nitrides (GaN, AlN, and InN), together with their cluster-assembled nanomaterials, are of very high interest and have been widely investigated [1][2][3][4][5][7][8][9][10][11][12][13][14][15][16][17][19][20][21], and the possible geometries and energy gaps of inner hollow semiconductor (GaN) 2n nanocages have been confirmed [21]. It has been found that the stable GaN and InN nanocages are good semiconductor materials with stronger electron mobility, which is consistent with experimental values [9,11,13,14].…”