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  Unraveling the Metastability of Cn2+ (n = 2-4) Clusters

Peng, Z., Zanuttini, D., Gervais, B., Jacquet, E., Blum, I., Choi, P.-P., et al. (2019). Unraveling the Metastability of Cn2+ (n = 2-4) Clusters. The Journal of Physical Chemistry Letters, 10(3), 581-588. doi:10.1021/acs.jpclett.8b03449.

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Item Permalink: http://hdl.handle.net/21.11116/0000-0004-6E82-E Version Permalink: http://hdl.handle.net/21.11116/0000-0004-6EBB-F
Genre: Journal Article

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 Creators:
Peng, Zirong1, Author              
Zanuttini, David2, 3, Author              
Gervais, Benoit2, Author              
Jacquet, Emmanuelle2, Author              
Blum, Ivan3, Author              
Choi, Pyuck-Pa4, 5, Author              
Raabe, Dierk1, Author              
Vurpillot, François6, Author              
Gault, Baptiste4, Author              
Affiliations:
1Microstructure Physics and Alloy Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863381              
2Normandie Univ, ENSICAEN, UNICAEN, CEA, CNRS, CIMAP, 14000 Caen, France, ou_persistent22              
3Normandie Univ, UNIROUEN, INSA Rouen, CNRS, GPM, 76000 Rouen, France, ou_persistent22              
4Atom Probe Tomography, Microstructure Physics and Alloy Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863384              
5Department of Materials Science and Engineering, Korea Advanced Institute of Science and Technology, Daejeon 34141, Korea, ou_persistent22              
6GPM UMR 6634 CNRS, Université et INSA de Rouen, Rouen, France, ou_persistent22              

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Free keywords: Calculations; Data handling; Electric fields; Kinetic energy; Kinetics; Tungsten carbide, Ab initio calculations; Atom probe tomography; Cluster dication; Correlation analysis; Experimental data processing; Fragmentation behavior; Kinetic energy release; State of the art, Carbon clusters
 Abstract: Pure carbon clusters have received considerable attention for a long time. However, fundamental questions, such as what the smallest stable carbon cluster dication is, remain unclear. We investigated the stability and fragmentation behavior of Cn 2+ (n = 2-4) dications using state-of-the-art atom probe tomography. These small doubly charged carbon cluster ions were produced by laser-pulsed field evaporation from a tungsten carbide field emitter. Correlation analysis of the fragments detected in coincidence reveals that they only decay to Cn-1 + + C+. During C2 2+ ? C+ + C+, significant kinetic energy release (5.75-7.8 eV) is evidenced. Through advanced experimental data processing combined with ab initio calculations and simulations, we show that the field-evaporated diatomic 12C2 2+ dications are either in weakly bound 3?u and 3Sg - states, quickly dissociating under the intense electric field, or in a deeply bound electronic 5Su - state with lifetimes gt;180 ps. © Copyright © 2019 American Chemical Society.

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Language(s): eng - English
 Dates: 2019-01-23
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Method: Peer
 Identifiers: DOI: 10.1021/acs.jpclett.8b03449
 Degree: -

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Title: The Journal of Physical Chemistry Letters
  Abbreviation : J. Phys. Chem. Lett.
Source Genre: Journal
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Publ. Info: Washington, DC : American Chemical Society
Pages: - Volume / Issue: 10 (3) Sequence Number: - Start / End Page: 581 - 588 Identifier: CoNE: https://pure.mpg.de/cone/journals/resource/1948-7185