Models, Mechanisms, and Multidisciplinary Applications of Electron Impact Ionisation of Atomic, Organic, and Inorganic Molecular Systems: A Theoretical Study

Science

With broad ramifications for plasma physics, radiation chemistry, astrophysics, and biological sciences, electron impact ionisation (EII) is a basic process that controls energy transmission and chemical change in atomic and molecular systems. EII in atomic, organic, and inorganic molecule targets is thoroughly investigated theoretically in this work, with a focus on the creation and use of sophisticated quantum-mechanical models to clarify underlying ionisation processes. We analyse total and differential ionisation cross sections over a wide range of input electron energies using a combination of perturbative and non-perturbative methods, such as the distorted wave Born approximation, close-coupling techniques, and molecular orbital frameworks. Target structure effects, multi-centre interactions, and electron correlation—all of which have a significant impact on ionisation kinetics in intricate molecular systems—are given special consideration. The study reveals how functional groups, bonding conditions, and cluster geometries influence collision results by highlighting different ionisation processes in organic and inorganic compounds. The robustness of the theoretical formulations is validated and important areas that need improvement are identified by comparisons with known experimental data, which show encouraging agreement. Beyond revealing basic truths, the findings highlight significant interdisciplinary uses, such as atmospheric modelling, plasma processing, evaluating radiation damage in biomolecules, and creating new materials. This study contributes to our understanding of electron-driven ionisation phenomena by combining precise theoretical models with real-world applications. It also offers a cohesive framework for further research into collision processes in increasingly complicated systems.

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