Electronic stopping cross section for protons incident on biological and biomedical materials within a FSGO quantum chemistry description

Trujillo-López, L.N.; Cabrera‐Trujillo, R.

doi:10.1016/j.radphyschem.2018.10.013

Cited by 7 publications

(3 citation statements)

References 57 publications

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“…The SCS of a compound AxB1-x can be estimated according to Bragg's rule (stopping power additivity), 𝜀 𝐴 𝑥 𝐵 1−𝑥 = 𝑥 • 𝜀 𝐴 + (1 − 𝑥) • 𝜀 𝐵 , where 𝑥 is the atomic fraction of element A [18]. This prediction is commonly employed and proves highly accurate at energies of several MeV/u [19]. However, due to the above mentioned increasing relative weight of the valence electrons at low-to-medium energies, chemical binding and the physical phases of the materials have been found to affect the stopping power considerably [20,21].…”

Section: Introductionmentioning

confidence: 99%

Electronic interaction of slow hydrogen and helium ions with nickel-silicon systems

et al. 2019

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Paper accepted for publication by Physical Review A Link to the abstract: https://journals.aps.org/pra/accepted/af070N0aRc31281619294920dc695c1c385658bbf Electronic stopping cross sections (SCS) of nickel, silicon and nickel-silicon alloys for protons and helium (He) ions are studied in the regime of medium and low energy ion scattering, i.e., for ion energies in the range from 500 eV to 200 keV. For protons, at velocities below the Bohr velocity the deduced SCS is proportional to the ion velocity for all investigated materials. In contrast, for He ions non-linear velocity scaling is observed in all investigated materials. Static calculations using density functional theory (DFT) available from literature accurately predict the SCS of Ni and Ni-Si alloy in the regime with observed velocity proportionality. At higher energies, the energy dependence of the deduced SCS of Ni for protons and He ions agrees with the prediction by recent timedependent DFT calculations. The measured SCS of the Ni-Si alloy was compared to the SCS obtained from Bragg's rule based on SCS for Ni and Si deduced in this study, yielding good agreement for protons, but systematic deviations for He projectiles, by almost 20%. Overall, the obtained data indicate the importance of non-adiabatic processes such as charge-exchange for proper modelling of electronic stopping of in particular medium-energy ions heavier than protons in solids.

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Section: Introductionmentioning

confidence: 99%

Electronic interaction of slow hydrogen and helium ions with nickel-silicon systems

et al. 2019

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“…The harmonic Oscillator method for bound electrons has been studied through a Floating Spherical Gaussian Orbital description of the molecule where the orbital and total mean excitation energies of certain molecules were calculated. [23] Tandon et al [8] recently proposed a novel model based on the Floating Spherical Gaussian Orbital model to calculate atomic electronegativity based on polarizability. The group has further worked on similar lines using atomic hardness data.…”

Section: Fsgo Methodsmentioning

confidence: 99%

“…Karachi [22] presented a variation of the model, viz., MDFSGO (Modified Delocalized Floating Spherical Gaussian Orbital), which has performed well for lone pair‐containing molecules. The harmonic Oscillator method for bound electrons has been studied through a Floating Spherical Gaussian Orbital description of the molecule where the orbital and total mean excitation energies of certain molecules were calculated [23] . Tandon et al [8] .…”

Section: Fsgo Methodsmentioning

confidence: 99%

An FSGO based Electronegativity Scale invoking the Electrophilicity Index

et al. 2022

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Electronegativity is an important chemical construct that plays a pivotal role to explain several chemical, biochemical and physicochemical phenomena. The study of this periodic descriptor is still considered an active domain of research, and a number of scientists are involved to propose different scales of electronegativity based on experimental findings and theoretical concepts. In this study, we have proposed a model to compute atomic electronegativity values of 103 elements based on the Floating Spherical Gaussian Orbital approach invoking the atomic electrophilicity index as a descriptor. The computed electronegativity scale observes the periodic trend and justifies many chemical phenomena. Molecular electronegativity values have also been computed using the computed atomic electronegativity data and utilized to justify the Electronegativity Equalization Principle. In order to validate our proposed model, internuclear bond distances for some molecules have been deduced in terms of our computed atomic electronegativity data. A strong correlation with experimental counterparts proves the efficacy of our proposed model.

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Relationship between dose and stopping power values for electrons in skin and muscle tissues

Yüksel

Tufan

2021

Radiat Environ Biophys

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Electronic stopping cross section for protons incident on biological and biomedical materials within a FSGO quantum chemistry description

Cited by 7 publications

References 57 publications

Electronic interaction of slow hydrogen and helium ions with nickel-silicon systems

Electronic interaction of slow hydrogen and helium ions with nickel-silicon systems

An FSGO based Electronegativity Scale invoking the Electrophilicity Index

Relationship between dose and stopping power values for electrons in skin and muscle tissues

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