Structures, stabilities and electronic properties of TimSi−n (m = 1‒2, n = 14‒20) clusters: a combined ab initio and experimental study

Structures and electronic properties of VSin− (n = 14–20) clusters: a combined experimental and density functional theory study

“…For VSi 14 − , the experimental spectrum has only one characteristic peak X at about 4.4 eV, which is very similar to the experimental spectrum of TiSi 14 − . 75 Similarly, the experimental spectrum of VSi 15 − has only one band, but there are three identifiable peaks in the band. VSi 16 − has four clear peaks (X, A, B and C) centered 3.73 eV, 3.90 eV, 4.25 eV and 4.51 eV in the experimental spectra.…”

“…, the experimental spectrum has only one characteristic peak X at about 4.4 eV, which is very similar to the experimental spectrum of TiSi 14 À . 75 Similarly, the experimental spectrum of In order to obtain detailed structural information and the electronic properties of these clusters, low-lying structures have been searched globally as described above; the results are shown in Fig. 2.…”

Anion photoelectron spectroscopy and density functional theory study of TM2Sin− (TM = V, Cr; n = 14–20) clusters

“…The method of cluster synthesis and PES measurement has been described in detail in previous works. 9,18,47,48 In brief, the experiments were performed with a magnetic-bottle PES apparatus equipped with a magnetron sputtering gas aggregation cluster source. The TM-Si (TM = V, Cr) clusters anions were generated in a liquid nitrogen cooled tube filled with a mixture of helium and argon (roughly 3 : 1) with a total pressure of about 0.5 mbar.…”

“…Silicon (Si) clusters doped with transition metal (TM) atoms have been intensively studied experimentally [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16][17][18] and theoretically [19][20][21][22][23][24][25][26][27][28][29][30][31][32][33] over the past decades due to their unique structural features and potential technical applications in nanomaterials and semiconductors. In particular, vanadium (V) and chromium (Cr) doped Si clusters have attracted much attention as V-Si alloy nanoparticles can be potentially utilized for non-volatile memory devices, 34 and as Cr-Si alloy has been widely applied in making thin film resistors and sensors.…”

Thermal Disproportionation for the Synthesis of Silicon Nanocrystals and Their Photoluminescent Properties

“…First, more versatile compositions of the silicon-rich oxides through introduction of metal elements and inorganic components could endow SiNCs with new catalytic behaviors (Wong et al, 2017;Sun et al, 2020). For example, Tidoped silicon nanocages would enhance their catalytic performance for CO 2 hydrogenation because of the unsaturated electronic states of silicon cage, which was originated from the strong covalent bonding between Si and Ti (Pei et al, 2019;Wu et al, 2020).…”