Low-energy proton impact dynamics on hydrocarbons: Dependence on kinetic energy and incident site
Source abstract
Abstract
The dynamics of low-energy proton collisions with hydrocarbon molecules are investigated using real-time time-dependent density functional theory. Through systematic variation of proton kinetic energy and impact site on the molecular surface, the resulting scattering, proton capture, and bond dissociation pathways are analyzed. The simulations reveal a strong dependence of reaction outcomes on both incident energy and collision geometry, with the interplay between electronic and nuclear degrees of freedom highlighted as governing molecular fragmentation and reaction mechanisms. These findings provide insight into the fundamental processes underlying proton–hydrocarbon interactions relevant to radiation chemistry, ion-beam processing, astrochemical environments, and Coulomb explosion.
Source: crossref · Quality: baseline
Research context
OpenAlex topics: Astro and Planetary Science · Gamma-ray bursts and supernovae · Nuclear physics research studies
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
Department of Physics and Astronomy, Vanderbilt University 1 , Nashville, Tennessee 37235,
Pritzker School of Molecular Engineering, University of Chicago 2 , Chicago, Illinois 60637,
ELI ALPS, ELI-HU Non-Profit Ltd 3 , Wolfgang Sandner utca 3., 6728 Szeged,
Department of Theoretical Physics, University of Szeged 4 , Tisza L. krt. 84-86, 6720 Szeged,
Department of Chemistry, Austin Peay State University 5 , Clarksville, Tennessee 37044,
Funding
Division of Materials Research · National Science Foundation Graduate Research Fellowship Program · National Science Foundation · European Regional Development Fund
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