Backscattering of Li+ ions from MoS2: Probing charge transfer through experiment and theory
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989100%3A27710%2F25%3A10258627" target="_blank" >RIV/61989100:27710/25:10258627 - isvavai.cz</a>
Result on the web
<a href="https://pubs.aip.org/aip/jcp/article/163/8/084721/3361071/Backscattering-of-Li-ions-from-MoS2-Probing-charge" target="_blank" >https://pubs.aip.org/aip/jcp/article/163/8/084721/3361071/Backscattering-of-Li-ions-from-MoS2-Probing-charge</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1063/5.0283586" target="_blank" >10.1063/5.0283586</a>
Alternative languages
Result language
angličtina
Original language name
Backscattering of Li+ ions from MoS2: Probing charge transfer through experiment and theory
Original language description
We present a combined experimental and theoretical study of charge exchange dynamics in low-energy Li+ collisions with a MoS2 surface, focusing on the neutralization of backscattered projectiles. Using low-energy ion scattering, we measure charge-state-resolved time-of-flight spectra for incident energies between 2.5 and 8.0 keV, under different scattering geometries and azimuthal orientations. The results reveal neutralization fractions ranging from 20% to 35% for projectiles scattered from Mo atoms, with a slight but reproducible increase with increasing energy. These values correspond exclusively to single binary collisions between Li and Mo atoms, with negligible formation of negative ions and no significant dependence on azimuthal or entrance/exit angles. The experimental results are interpreted using a time-dependent resonant charge transfer model based on the Anderson Hamiltonian in the infinite-U limit. The model incorporates the interaction of the Li 2s level with the Mo-projected local density of states, calculated within a bond-pair formalism. Theoretical predictions reproduce well the magnitude of the measured neutral fractions, although they underestimate their energy dependence at higher energies, an effect possibly related to the omission of excited-state channels such as the Li 2p level. A qualitative comparison with charge transfer involving sulfur atoms reveals consistent trends but a systematic overestimation by the model, likely due to reionization effects in complex multi-atom trajectories. These results demonstrate the importance of local electronic structure in charge exchange processes and highlight the need for extended models that include excited states and multi-site interactions.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10300 - Physical sciences
Result continuities
Project
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Continuities
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Others
Publication year
2025
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Chemical Physics
ISSN
0021-9606
e-ISSN
1089-7690
Volume of the periodical
163
Issue of the periodical within the volume
8
Country of publishing house
US - UNITED STATES
Number of pages
13
Pages from-to
084721
UT code for WoS article
001565169100002
EID of the result in the Scopus database
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