Appearance of V-encapsulated tetragonal prism motifs in VSi10− and VSi11− clusters
文献信息
Li-Juan Zhang, Bin Yang, Da-Zhi Li
The structural and electronic properties of V-doped silicon clusters, VSi10−/0 and VSi11−/0, were investigated by using mass-selected anion photoelectron spectroscopy in combination with theoretical calculations. Photoelectron spectroscopy of VSi10− and VSi11− clusters with spectral similarity reveals that the two cluster structures resemble each other. Interestingly, theoretical calculation studies provide definitive evidence of the global minima for the two clusters to be V-encapsulated tetragonal prism motifs with extra Si atoms bicapped and tricapped, respectively. The enhanced stability of the tetragonal prism unit in VSi10− and VSi11− is due to the strong interactions between 3d (V) and 3p (Si) orbitals, and more charge transfers from the Sin framework to the encapsulated V atom. The tetragonal prism unit possessed by both the VSi10− and VSi11− clusters is observed for the first time in the current work, and may offer new ideas in developing components for Si-based nanodevices.
期刊推荐

Journal of Chemical Sciences

Chinese Journal of Chemistry

Electroanalysis

Atomization and Sprays

Critical Reviews in Solid State and Materials Sciences

Medicinal Chemistry Research

Bioorganic & Medicinal Chemistry Letters

Polycyclic Aromatic Compounds

Journal of Asian Natural Products Research

Topics in Catalysis
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来源期刊
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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