Appearance of V-encapsulated tetragonal prism motifs in VSi10- and VSi11- clusters
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.
| Medienart: |
E-Artikel |
|---|
| Erscheinungsjahr: |
2020 |
|---|---|
| Erschienen: |
2020 |
| Enthalten in: |
Zur Gesamtaufnahme - volume:22 |
|---|---|
| Enthalten in: |
Physical chemistry chemical physics : PCCP - 22(2020), 40 vom: 21. Okt., Seite 22989-22996 |
| Sprache: |
Englisch |
|---|
| Beteiligte Personen: |
Zhang, Li-Juan [VerfasserIn] |
|---|
| Links: |
|---|
| Themen: |
|---|
| Anmerkungen: |
Date Revised 22.10.2020 published: Print Citation Status PubMed-not-MEDLINE |
|---|
| doi: |
10.1039/d0cp04101g |
|---|
| funding: |
|
|---|---|
| Förderinstitution / Projekttitel: |
|
| PPN (Katalog-ID): |
NLM316005614 |
|---|
| LEADER | 01000naa a22002652 4500 | ||
|---|---|---|---|
| 001 | NLM316005614 | ||
| 003 | DE-627 | ||
| 005 | 20231225160136.0 | ||
| 007 | cr uuu---uuuuu | ||
| 008 | 231225s2020 xx |||||o 00| ||eng c | ||
| 024 | 7 | |a 10.1039/d0cp04101g |2 doi | |
| 028 | 5 | 2 | |a pubmed24n1053.xml |
| 035 | |a (DE-627)NLM316005614 | ||
| 035 | |a (NLM)33030474 | ||
| 040 | |a DE-627 |b ger |c DE-627 |e rakwb | ||
| 041 | |a eng | ||
| 100 | 1 | |a Zhang, Li-Juan |e verfasserin |4 aut | |
| 245 | 1 | 0 | |a Appearance of V-encapsulated tetragonal prism motifs in VSi10- and VSi11- clusters |
| 264 | 1 | |c 2020 | |
| 336 | |a Text |b txt |2 rdacontent | ||
| 337 | |a ƒaComputermedien |b c |2 rdamedia | ||
| 338 | |a ƒa Online-Ressource |b cr |2 rdacarrier | ||
| 500 | |a Date Revised 22.10.2020 | ||
| 500 | |a published: Print | ||
| 500 | |a Citation Status PubMed-not-MEDLINE | ||
| 520 | |a 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 | ||
| 650 | 4 | |a Journal Article | |
| 700 | 1 | |a Yang, Bin |e verfasserin |4 aut | |
| 700 | 1 | |a Li, Da-Zhi |e verfasserin |4 aut | |
| 700 | 1 | |a Farooq, Umar |e verfasserin |4 aut | |
| 700 | 1 | |a Xu, Xi-Ling |e verfasserin |4 aut | |
| 700 | 1 | |a Zheng, Wei-Jun |e verfasserin |4 aut | |
| 700 | 1 | |a Xu, Hong-Guang |e verfasserin |4 aut | |
| 773 | 0 | 8 | |i Enthalten in |t Physical chemistry chemical physics : PCCP |d 1999 |g 22(2020), 40 vom: 21. Okt., Seite 22989-22996 |w (DE-627)NLM156018284 |x 1463-9084 |7 nnns |
| 773 | 1 | 8 | |g volume:22 |g year:2020 |g number:40 |g day:21 |g month:10 |g pages:22989-22996 |
| 856 | 4 | 0 | |u http://dx.doi.org/10.1039/d0cp04101g |3 Volltext |
| 912 | |a GBV_USEFLAG_A | ||
| 912 | |a GBV_NLM | ||
| 951 | |a AR | ||
| 952 | |d 22 |j 2020 |e 40 |b 21 |c 10 |h 22989-22996 | ||