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Journal articles on the topic 'Second ionization potential of atoms of elements'

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Published: 3 June 2025

Last updated: 31 July 2025

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1

Yushchenko, Alexander, Seunghyun Kim, Yeuncheol Jeong, et al. "The Possible Signs of Hydrogen and Helium Accretion from Interstellar Medium on the Atmospheres of F-K Giants in the Local Region of the Galaxy." Journal of Astronomy and Space Sciences 38, no. 3 (2021): 175–83. http://dx.doi.org/10.5140/jass.2021.38.3.175.

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The dependencies of the chemical element abundances in stellar atmospheres with respect to solar abundances on the second ionization potentials of the same elements were investigated using the published stellar abundance patterns for 1,149 G and K giants in the Local Region of the Galaxy. The correlations between the relative abundances of chemical elements and their second ionization potentials were calculated for groups of stars with effective temperatures between 3,764 and 7,725 K. Correlations were identified for chemical elements with second ionization potentials of 12.5 eV to 20 eV and f

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2

Gáspár, Rezső, and Rezső Gáspár Jr. "Pseudopotentials for second row atoms. Abinitio molecular calculations on PH3, H2S, and HCl." Canadian Journal of Chemistry 63, no. 7 (1985): 1922–24. http://dx.doi.org/10.1139/v85-318.

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Gaussian nonlocal pseudopotentials are introduced for the simplification of the description of second row elements. Pseudopotential parameters for P, S, and Cl are presented. The pseudopotential method is applied to HCl, H2S, and PH3. Substantial reduction in the dimension of the orbital basis set is achieved. Results on total valence energies, binding energies, ionization potentials, force constants, equilibrium bond angles, bond lengths, and dipole moments are presented and compared to experiment as well as to the results of calculations with other methods.

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3

OYMAK, HÜSEYİN, and ŞAKİR ERKOÇ. "GROUP 12 ELEMENTS AND THEIR SMALL CLUSTERS: ELECTRIC DIPOLE POLARIZABILITY OFZn,CdANDHg,Zn2DIMER AND HIGHERZnnMICROCLUSTERS AND NEUTRAL, CATIONIC AND ANIONIC ZINC OXIDE MOLECULES (ZnO,ZnO+ANDZnO-)." International Journal of Modern Physics B 26, no. 08 (2012): 1230003. http://dx.doi.org/10.1142/s0217979212300034.

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This review is in general about group 12 elements and their small microclusters. In this part, after presenting an extensive literature survey of the electric dipole polarizability studies of the Zn , Cd and Hg atoms, we specifically target zinc-containing small clusters, beginning with the Zn2dimer, the Zn3trimer, higher Znnclusters and the neutral, cationic and anionic zinc oxide clusters: ZnO , ZnO+and ZnO-. We tabulated experimental and theoretical results for the spectroscopic constants (dissociation energy Deor D0, bond length re, fundamental frequency we, anharmonicity constant wexeand

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Нурубейли, Т.К. "Влияние двукратно заряженных ионов в формировании масс-спектров твердых тел в масс-спектрометре с индуктивно связанной плазмой". Elektronnaya Obrabotka Materialov 53, № 4 (2017): 53–59. https://doi.org/10.5281/zenodo.1053759.

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The paper considers both theoretical and experimental justifications of the formation of doubly charged ions (<em>M<sup>++</sup></em>) of several elements via the inductively coupled plasma mass spectrometry (ICP-MS). The efficiency of the formation of both singly and doubly charged ions with the lowest value of the second ionization potential was demonstrated using the Saha equation and thermodynamic modeling. A comparison is made of the results of the theoretical and experimental works performed on a ICP-MS mass spectrometer. The accuracy of the calcu-lated results was proved and a possibili

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5

Jeong, Yeuncheol, Alexander Yushchenko, Vira Gopka, et al. "The Barium Star HD204075: Iron Abundance and the Absence of Evidence for Accretion." Journal of Astronomy and Space Sciences 36, no. 3 (2019): 105–13. http://dx.doi.org/10.5140/jass.2019.36.3.105.

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Spectroscopic observations of barium star ζ Capricornus (HD204075) obtained at the 8.2 m telescope of the European Southern Observatory, with a spectral resolving power R = 80,000 and signal to noise ratio greater than 300, were used to refine the atmospheric parameters. We found new values for effective temperature (Teff = 5,300 ± 50 K), surface gravity (log g = 1.82 ± 0.15), micro-turbulent velocity (vmicro = 2.52 ± 0.10 km/s), and iron abundance (log N (Fe) = 7.32 ± 0.06). Previously published abundances of chemical elements in the atmosphere of HD204075 were analyzed and no correlations of

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6

ISLAM, NAZMUL, and ARINDAM JANA. "A NEW FORMULA FOR THE EVALUATION OF THE IONIZATION ENERGY BASED ON THE ORBITAL EXPONENTS OF THE ATOMS OF 118 ELEMENTS OF THE PERIODIC TABLE." Journal of Theoretical and Computational Chemistry 09, no. 03 (2010): 637–51. http://dx.doi.org/10.1142/s0219633610005840.

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We propose a simple approach for the calculation of the ionization potentials of atoms in terms of their orbital exponents. The prescription is simple and utilizes only the simple Bohr equation with some modifications. We have pointed out that the atomic first ionization energy not only depends on the principal quantum number (n) but also on the azimuthal quantum number (l) of the orbital (n, l) on which the electron of interest is present. The formalism is tested through the calculation of the atomic ionization potentials of 118 elements of the periodic table. The orbital exponent values for

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7

Orlitová, I., A. Verhamme, A. Henry, et al. "Puzzling Lyman-alpha line profiles in green pea galaxies." Astronomy & Astrophysics 616 (August 2018): A60. http://dx.doi.org/10.1051/0004-6361/201732478.

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Context. The Lyman-alpha (Lyα) line of hydrogen is of prime importance for detecting galaxies at high redshift. For a correct data interpretation, numerical radiative transfer models are necessary due to Lyα resonant scattering off neutral hydrogen atoms. Aims. Recent observations have discovered an escape of ionizing Lyman-continuum radiation from a population of compact, actively star-forming galaxies at redshift z ~ 0.2−0.3, also known as “green peas”. For the potential similarities with high-redshift galaxies and impact on the reionization of the universe, we study the green pea Lyα spectr

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Seltzer, M. D., and R. B. Green. "Laser-Power Dependency of Resonant Two-Photon Ionization in Flames." Applied Spectroscopy 43, no. 4 (1989): 633–37. http://dx.doi.org/10.1366/0003702894202436.

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Resonant two-photon ionization competes with laser-enhanced collisional ionization (LEI) in flames to ionize analyte atoms. The predominance of either mechanism for a given element depends on the excitation scheme as well as the level of irradiance. Optical saturation of the resonant transition through which the two-photon mechanism proceeds precludes observation of a second-order dependence of ionization signal on laser power. The laser power dependency of resonant two-photon ionization for a series of elements is examined, and results of diagnostic value regarding the probable ionization mec

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9

Hohm, Uwe, and Ajit J. Thakkar. "New Relationships Connecting the Dipole Polarizability, Radius, and Second Ionization Potential for Atoms." Journal of Physical Chemistry A 116, no. 1 (2011): 697–703. http://dx.doi.org/10.1021/jp2094438.

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10

Chernomorskii, Alexandr I. "(Digital Presentation) The Intermediate Electron Bond. Half-Reactions and the Electronic Structure of Atoms." ECS Meeting Abstracts MA2024-01, no. 44 (2024): 2491. http://dx.doi.org/10.1149/ma2024-01442491mtgabs.

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The transfer of electrons ne from the intermediate state (Ox1 ← ne → Ox2) is associated with formation of a chemical bond with one Ox-form. Consequently, chemical bonds of electrons with Ox - forms should be formed Ox + ne + H2O→ Red or broken Red + H2O → Ox + ne in half-reactions. Then, there should be concluded some electronic state and bond without a specific chemical component. This electronic bond was determined as a definite coulomb bond, intermediate from metallic to non-metallic specific bonds. Ionization potential of intermediately bound electrons is determined I interm. = 5.19 eV [1-

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Polyakova, E. V., and O. V. Pelipasov. "Comparison of matrix effects on atomic emission spectrometers with nitrogen microwave induced plasma." Аналитика и контроль 25, no. 4 (2021): 313–17. http://dx.doi.org/10.15826/analitika.2021.25.4.004.

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The creation and implementation of new sources of sample excitation and spectrometers based on them into the practice of analytical laboratories raises many questions for researchers about the obtained analytical characteristics of new equipment and analysis methods. The most important characteristics of any method include detection limits, accuracy and reproducibility of the results obtained. Matrix elements can have a significant effect on these parameters. The paper shows a comparison of the change in the intensities of analytical lines of elements in the presence of matrix elements with io

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12

Ichimura, S. "Development of Atom Counting Technique by Laser Ionization." Microscopy and Microanalysis 3, S2 (1997): 1077–78. http://dx.doi.org/10.1017/s1431927600012277.

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The aim of the present study is to discuss the possibility of “counting atoms” by laser ionization technique, which has been applied to post-ionization in sputtered neutral mass spectrometry. The detection of one H2 molecule was tried under an extremely high vacuum (XHV) condition, since the molecule has a higher ionization energy (15.4 eV) than most of elements and the existence probability of it within laser ionization region is less than one under the condition.Fig.1 shows schematically the experimental setup. The second harmonics (SH) of a picosecond YAG laser was focused with a spherical

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Mantela, Marilena, Constantinos Simserides, and Rosa Di Felice. "LCAO Electronic Structure of Nucleic Acid Bases and Other Heterocycles and Transfer Integrals in B-DNA, Including Structural Variability." Materials 14, no. 17 (2021): 4930. http://dx.doi.org/10.3390/ma14174930.

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To describe the molecular electronic structure of nucleic acid bases and other heterocycles, we employ the Linear Combination of Atomic Orbitals (LCAO) method, considering the molecular wave function as a linear combination of all valence orbitals, i.e., 2s, 2px, 2py, 2pz orbitals for C, N, and O atoms and 1s orbital for H atoms. Regarding the diagonal matrix elements (also known as on-site energies), we introduce a novel parameterization. For the non-diagonal matrix elements referring to neighboring atoms, we employ the Slater–Koster two-center interaction transfer integrals. We use Harrison-

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14

Kosarev, N. I. "Three-body recombination of ultracold barium plasma created by two-step photoionization of atoms through an excited 6s6p P11 level." Physics of Plasmas 29, no. 12 (2022): 123509. http://dx.doi.org/10.1063/5.0129435.

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The kinetics of ionization and recombination of an ultracold barium plasma created in a two-step process, taking into account the transfer of resonant radiation in 3D cylindrical geometry, is studied by numerical simulation. At the first step, a pump laser excites the upper level of the resonant transition [Formula: see text] ([Formula: see text]). At the second step, the laser with quantum energy exceeding the ionization potential from the level [Formula: see text] ([Formula: see text]) ionizes the atoms. A scheme is proposed for increasing the efficiency of electron yield: at the second ioni

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15

Warbinek, Jessica, Brankica Anđelić, Michael Block, et al. "Advancing Radiation-Detected Resonance Ionization towards Heavier Elements and More Exotic Nuclides." Atoms 10, no. 2 (2022): 41. http://dx.doi.org/10.3390/atoms10020041.

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RAdiation-Detected Resonance Ionization Spectroscopy (RADRIS) is a versatile method for highly sensitive laser spectroscopy studies of the heaviest actinides. Most of these nuclides need to be produced at accelerator facilities in fusion-evaporation reactions and are studied immediately after their production and separation from the primary beam due to their short half-lives and low production rates of only a few atoms per second or less. Only recently, the first laser spectroscopic investigation of nobelium (Z=102) was performed by applying the RADRIS technique in a buffer-gas-filled stopping

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16

Yu, Shuai Qin, Li Hua Dong, and Yan Sheng Yin. "The Geometric and Electronic Structures of Fe_n_-1Si(n=2-7) Clusters." Advanced Materials Research 150-151 (October 2010): 984–87. http://dx.doi.org/10.4028/www.scientific.net/amr.150-151.984.

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The geometric structures and electronic properties of Si doped Fen (n=2-7) clusters have been systematically studied at the BPW91 level in density-functional theory (DFT). Calculated results show that an Si impurity does not change the ground-state structure of small iron clusters and prefers to occupy surface site bonding with iron atoms as many as possible. The second-order energy difference and the vertical ionization potential show that n=4 and 6 are magic numbers within the size range studied, but the maximum value occurs at n=4 for the energy gap between the highest occupied molecular or

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17

Barker, Daniel S., Bishnu P. Acharya, James A. Fedchak, et al. "Precise quantum measurement of vacuum with cold atoms." Review of Scientific Instruments 93, no. 12 (2022): 121101. http://dx.doi.org/10.1063/5.0120500.

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We describe the cold-atom vacuum standards (CAVS) under development at the National Institute of Standards and Technology (NIST). The CAVS measures pressure in the ultra-high and extreme-high vacuum regimes by measuring the loss rate of sub-millikelvin sensor atoms from a magnetic trap. Ab initio quantum scattering calculations of cross sections and rate coefficients relate the density of background gas molecules or atoms to the loss rate of ultra-cold sensor atoms. The resulting measurement of pressure through the ideal gas law is traceable to the second and the kelvin, making it a primary re

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Kulentsan, Anton L., Dmitriy A. Shutov, and Vladimir V. Rybkin. "IMPACT OF TRANSFER PROCESSES OF LIQIUD CATHODE COMPONENTS ON PHYSICAL-CHEMICAL PARAMETERS OF ATMOSPHERIC PRESSURE DC DISCHARGE." IZVESTIYA VYSSHIKH UCHEBNYKH ZAVEDENIY KHIMIYA KHIMICHESKAYA TEKHNOLOGIYA 60, no. 6 (2017): 52. http://dx.doi.org/10.6060/tcct.2017606.5566.

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Experimental data on glow discharge parameters of atmospheric pressure in air with cathodes from distilled water and water containing ions of potassium, sodium and copper (II) are obtained. Chlorides of the corresponding salts were used. The current range was 20-60 mA, and the solution concentrations were -0.1-0.4 mol/l. The cathode drops of the potential and the electric fields in the plasma are determined by the mobile anode method. With emission spectroscopy by modeling the unresolved rotational structure of the emission bands of the second positive system of nitrogen molecules, gas tempera

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19

Zhang, Tian-Cheng, Gao-Yuan Pan, You-Jun Yu, Chen-Zhong Dong, and Xiao-Bin Ding. "Ionization energy and valence electron orbital binding energy of superheavy element Og(<i>Z</i> = 118) and its homologs." Acta Physica Sinica 71, no. 21 (2022): 213201. http://dx.doi.org/10.7498/aps.71.20220813.

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The ionization energy of the superheavy element Og (<i>Z</i> = 118) and its homolog elements Ar, Kr, Xe, Rn, and their ions are systematically calculated by using the GRASP2K program based on the multi-configuration Dirac-Hartree-Fock (MCDHF) method, taking into account relativistic effects, electron correlation effects between valence shell electrons, quantum electrodynamics effects, and Breit interaction. To reduce the uncertainty of the ionization energy derived from electron correlation effects which are not fully considered, the ionization potential of the superheavy element O

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20

SHI, Lei, Zhiqiang ZHOU, Tao QU, et al. "Investigation on Structural, Relative Stable, and Electronic Properties of Binary AlnLin (n = 2 – 12) Clusters through Density Functional Theory." Materials Science 26, no. 2 (2019): 154–60. http://dx.doi.org/10.5755/j01.ms.26.2.23558.

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In the present research, the structural, the relative stable, and the electronic properties of AlnLin (n = 2 – 12) clusters were investigated by density functional theory (DFT). By comparing the calculated values of Al2 and Li2 dimers with experimental ones, the reliability of the proposed method was proved. Furthermore, by considering the values of average binding energy (Eb), vertical ionization potential (VIP), vertical electron affinity (VEA), fragmentation energy (△E), second-order energy difference (△2E), HOMO-LUMO (HL) gap, and chemical hardness (η) were calculated. It was found Fragmen

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Xie, Biao, Huai-Qian Wang, Hui-Fang Li, et al. "Making Sense of the Growth Behavior of Ultra-High Magnetic Gd2-Doped Silicon Clusters." Molecules 28, no. 13 (2023): 5071. http://dx.doi.org/10.3390/molecules28135071.

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The growth behavior, stability, electronic and magnetic properties of the Gd2Sin− (n = 3–12) clusters are reported, which are investigated using density functional theory calculations combined with the Saunders ‘Kick’ and the Artificial Bee Colony algorithm. The lowest-lying structures of Gd2Sin− (n = 3–12) are all exohedral structures with two Gd atoms face-capping the Sin frameworks. Results show that the pentagonal bipyramid (PB) shape is the basic framework for the nascent growth process of the present clusters, and forming the PB structure begins with n = 5. The Gd2Si5− is the potential m

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Darsey, Jerry A. "Artificial Intelligence Modeling of Materials’ Bulk Chemical and Physical Properties." Crystals 14, no. 10 (2024): 866. http://dx.doi.org/10.3390/cryst14100866.

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Energies of the atomic and molecular orbitals belonging to one and two atom systems from the fourth and fifth periods of the periodic table have been calculated using ab initio quantum mechanical calculations. The energies of selected occupied and unoccupied orbitals surrounding the highest occupied and lowest unoccupied orbitals (HOMOs and LUMOs) of each system were selected and used as input for our artificial intelligence (AI) software. Using the AI software, correlations between orbital parameters and selected chemical and physical properties of bulk materials composed of these elements we

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Yadgarov, Ishmumin D., Farid F. Umarov, Asroriddin S. Kosimov, Khayitmurod I. Jabborov, and Shodibek Y. Aminov. "Simulation of Interaction Processes of C20 Fullerene with Graphene." East European Journal of Physics, no. 4 (December 2, 2023): 226–30. http://dx.doi.org/10.26565/2312-4334-2023-4-28.

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Graphene, a carbon sheet one atom thick, with carbon atoms arranged in a two-dimensional honeycomb configuration, has a number of intriguing properties. Fullerenes are a promising material for creating electro-active elements in solar cells and active layers in thin-film organic transistors. A computer model of the C20 fullerene molecule was constructed using the energy minimization method with the second-generation Brenner potential (REBO). A computer model of "infinite" defect-free graphene was built, designed to consider the process of adsorption of a C20 fullerene molecule on its surface.

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Fliszár, S., N. Desmarais, and G. Dancausse. "Valence and core region energies of atoms in Hartree–Fock theory." Canadian Journal of Chemistry 70, no. 2 (1992): 537–46. http://dx.doi.org/10.1139/v92-076.

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The subdivision of an atom into an inner core and an outer valence region reveals an interesting statistical aspect about the Hartree–Fock (HF) eigenvalues, εi, and the electron populations in the valence region, [Formula: see text] namely [Formula: see text] where Tv and [Formula: see text] are, respectively, the kinetic energy and the nuclear-electronic potential energy of the [Formula: see text] valence electrons, [Formula: see text] the interelectronic repulsion confined within the valence region, while [Formula: see text] is the repulsion between the core electrons and those of the valenc

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Krayovskyy, Volodymyr, Mariya Rokomanyuk, Nataliya Luzhetska, et al. "SENSITIVE ELEMENTS OF TEMPERATURE CONVERTERS BASED ON HfNi1-xCuxSn THERMOMETRICAL MATERIAL." Measuring Equipment and Metrology 84, no. 1 (2023): 11–17. http://dx.doi.org/10.23939/istcmtm2023.01.011.

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The results of experimental studies of sensitive elements of temperature transducers based on semiconductor thermometric material HfNi1-xCuxSn are presented. Thermometric materials HfNi1-xCuxSn, x=0.01–0.10, were produced by fusing a charge of components in an electric arc furnace with a tungsten electrode (cathode) in an atmosphere of purified argon under a pressure of 0.1 kPa on a copper water-cooled base (anode). Heat treatment of the alloys consisted of homogenizing annealing at a temperature of 1073 K. The samples were annealed for 720 hours. in quartz glass ampoules vacuumed to 1.0 Pa in

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Watanabe, Takeshi, Teppei Kawamoto, Hiromichi Nishiyama, et al. "Effect of Dissolved Gases on Pt Nanoparticle Catalysts Investigated By in Situ SAXS, XAS Measurements." ECS Meeting Abstracts MA2023-02, no. 40 (2023): 1949. http://dx.doi.org/10.1149/ma2023-02401949mtgabs.

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Understanding of the structural and the chemical properties of Pt catalysts in polymer electrolyte fuel cells (PEFCs) is necessary to improve the activity for the durability of the catalysts. The small-angle X-ray scattering (SAXS) and the X-ray absorption spectroscopy (XAS) measurements are widely used to investigate these properties. We developed a system that combines in situ A-SAXS/XAS measurements in the same field of observation using a channel flow electrode (CFE) cell and characterized the chemical states, average diameter and size distributions of Pt catalysts under controlled electro

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Oishi, Tetsuo, Miki Yaguchi, and Yumi Katasho. "Permeation Behavior of La, Ce, Pr, Nd, Gd, Tb, and Dy through a Ni–RE Alloy Diaphragm in Molten LiCl–KCl Systems." ECS Meeting Abstracts MA2024-02, no. 57 (2024): 3791. https://doi.org/10.1149/ma2024-02573791mtgabs.

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The authors have been investigating a new recycling process for Nd and Dy from wasted Nd–Fe–B magnets utilizing selective permeation phenomenon through alloy diaphragms in molten salts. In this process, alloy diaphragms such as Ni–rare earth (RE) alloy film, functions as a bipolar electrode through which RE ions permeate from the anolyte to the catholyte in three steps: (a) reduction of RE ions to form alloys on the anolyte side of the diaphragm, (b) diffusion of RE atoms inside the diaphragm, and (c) oxidation of RE atoms to dissolve into the catholyte as RE ions on the catholyte side of the

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Puzanov, O. "Employment of electric torch discharge and a steam-gas generator in surface schooping of materials." RADIOFIZIKA I ELEKTRONIKA 25, no. 4 (2020): 66–79. http://dx.doi.org/10.15407/rej2020.04.066.

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Subject and Purpose. The present paper is concerned with the method of surface schooping of materials using high-frequency torch discharge (HFTD) and glycerol vapor as a base for dissolving activating additives to the working gas. To approach the problem, a steam generator is employed in an effort to improve the HFTD catalytic performance in the activation of surfaces and deposition of coatings on them. The purpose is to develop a design technique of a steam generator intended for making a proper gas environment in the HFTD burning area. The discussed design techniques seek to enhance efficien

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Sachin, Sachin, Biplob Kumar Pramanik, Nahar Singh, et al. "Fast and Effective Removal of Congo Red by Doped ZnO Nanoparticles." Nanomaterials 13, no. 3 (2023): 566. http://dx.doi.org/10.3390/nano13030566.

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ZnO nanoparticles (NPs) show remarkable efficiency in removing various contaminants from aqueous systems. Doping ZnO NPs with a second metal element can dramatically change the physicochemical properties of the pristine nanoparticles. However, there have been limited reports on the absorption of doped ZnO NPs, especially comparing the performance of ZnO NPs with different doping elements. Herein, ZnO NPs were doped with three transitional metals (Co, Fe, and Mn) at a nominal 2 wt.%. The particle surface had a higher dopant concentration than the interior for all NPs, implying the migration of

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LI, GUOLIANG, WENLIANG MA, AIMEI GAO, HONGYU CHEN, DAVID FINLOW, and QIAN-SHU LI. "DENSITY FUNCTIONAL THEORY STUDIES OF CHARGED, COPPER-DOPED, SMALL SILICON CLUSTERS, ${\rm CuSi}_{n}^{+}/{\rm CuSi}_{n}^{-}$ (n = 1–7)." Journal of Theoretical and Computational Chemistry 11, no. 01 (2012): 185–96. http://dx.doi.org/10.1142/s0219633612500125.

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The structures and stabilities of charged, copper-doped, small silicon clusters [Formula: see text] (n = 1–7) have been systematically investigated using the density functional theory method at the B3LYP/6-311+G* level. For comparison, the geometries of neutral CuSi n clusters were also optimized at the same level, although most of them have been reported previously [see Xiao CY, Abraham A, Quinn R, Hagelberg F, Comparative study on the interaction of scandium and copper atoms with small silicon clusters, J Phys Chem A106:11380, 2002; Liu X, Zhao GF, Guo LJ, Wang XW, Zhang J, Jing Q, Luo YH, F

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Douass, Oumaima, Muneerah Mogren Al-Mogren, M'Hamed Touil, et al. "Integrating molecular modeling methods to study the interaction between Azinphos-methyl and gold nanomaterials for environmental applications." AIMS Environmental Science 11, no. 5 (2024): 776–96. http://dx.doi.org/10.3934/environsci.2024039.

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<p>We utilized density functional theory (DFT) to investigate the electronic structure and Raman spectrum of Azinphos-methyl (AzM) (<italic>C</italic><sub><italic>10</italic></sub><italic>H</italic><sub><italic>12</italic></sub><italic>N</italic><sub><italic>3</italic></sub><italic>O</italic><sub><italic>3</italic></sub><italic>PS</italic><sub><italic>2</italic></sub>) both in isolation and in combination with

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Bond, Howard E., and R. Earle Luck. "S-Process Deficiencies in Low-Mass Supergiant Variables." International Astronomical Union Colloquium 106 (1989): 154. http://dx.doi.org/10.1017/s0252921100062849.

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We have carried out abundance analyses of four low-mass supergiant variable stars (the RV Tauri or RV Tau-like variables AI Cmi, RU Cen, and U Mon, and the Type II Cepheid Kappa Pav) and two Population I Cepheids (CO Aur and V378 Cen). We used model atmospheres in which hydrostatic equilibrium, plane-parallel geometry, and local thermodynamic equilibrium (LTE) were assumed. Discussion of the results, and of published analyses of additional low-mass variables, leads to the following conclusions. (1) The Population I Cepheids show normal, solar elemental abundance ratios (except for the CNO elem

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Wu, Rongrong, Luc Vereecken, Epameinondas Tsiligiannis, et al. "Molecular composition and volatility of multi-generation products formed from isoprene oxidation by nitrate radical." Atmospheric Chemistry and Physics 21, no. 13 (2021): 10799–824. http://dx.doi.org/10.5194/acp-21-10799-2021.

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Abstract. Isoprene oxidation by nitrate radical (NO3) is a potentially important source of secondary organic aerosol (SOA). It is suggested that the second or later-generation products are the more substantial contributors to SOA. However, there are few studies investigating the multi-generation chemistry of isoprene-NO3 reaction, and information about the volatility of different isoprene nitrates, which is essential to evaluate their potential to form SOA and determine their atmospheric fate, is rare. In this work, we studied the reaction between isoprene and NO3 in the SAPHIR chamber (Jülich

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Mehrer, Helmut, Hans Eckhardt Schaefer, Irina V. Belova, and Graeme E. Murch. "Molybdenum Disilicide - Diffusion, Defects, Diffusion Correlation, and Creep." Defect and Diffusion Forum 322 (March 2012): 107–28. http://dx.doi.org/10.4028/www.scientific.net/ddf.322.107.

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Molybdenum disilicide (MoSi2) is an interesting material for high-temperature applications. It has a high melting temperature, good thermal and electrical conductivity and an excellent oxidation resistance. For many years the primary use of MoSi2has been in heating elements, which can be used for temperatures up to 1800°C. Since the 1990s the potential of MoSi2as a high-temperature structural material has been recognized as well. Its brittleness at lower temperatures and a poor creep resistance above 1200°C have hindered its use as in load-bearing parts. These disadvantages may be offset at le

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Jung, Hyeonjung, Md Delowar Hossain, and Michal Bajdich. "Impact of Local Structure and Spin on the ORR Performance of Single Atom M-N-C Catalysts." ECS Meeting Abstracts MA2024-02, no. 11 (2024): 1461. https://doi.org/10.1149/ma2024-02111461mtgabs.

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Transition metal single-atom catalysts supported on N-doped graphene (M-N-Cs) offer significant advantages in metal utilization and uniformity of active sites compared to traditional heterogeneous catalysts. They are particularly notable for their superior electrocatalytic Oxygen Reduction Reaction (ORR) performance. Various modifications have been explored, including different metal combinations, different first shell elements (N, C, S, B), and coordination numbers, to enhance electrocatalytic ORR activities. Another emerging focus is the link between their local structure and spin state. The

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Salgado-Casanova, Adolfo, Tzu-Chen Liu, Steven B. Torrisi, and Christopher M. Wolverton. "A Machine Learning Approach for Understanding the Oxygen Vacancy Formation Energies within DRX Cathode Structures." ECS Meeting Abstracts MA2024-02, no. 3 (2024): 346. https://doi.org/10.1149/ma2024-023346mtgabs.

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Disordered Rock-Salt (DRX) cathode structures are materials where lithium and transition metal atoms are arranged in a disordered solid solution. These structures are currently under intensive study [1] due to their potential higher energy density, bigger capacity than the typical layered cathode structure, and improved flexibility in the selection of raw materials. Driven by this, we have recently compiled a DFT-based database of DRX structures with over 6,000 different metal oxide compositions. Moreover, since oxygen loss is linked to voltage degradation, intergranular cracks, and irreversib

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Guo, Qiang, Jochen Klein, Sonja Blaseio, Luana Schwendler, Frédéric Hasché, and Mehtap Oezaslan. "Understanding of Regeneration Processes of Ruthenium-Poisoned ORR Catalysts." ECS Meeting Abstracts MA2024-02, no. 41 (2024): 2645. https://doi.org/10.1149/ma2024-02412645mtgabs.

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PEM fuel cells, that are operated with a reformate gas (H2, CO2, CO), are of great interest in maritime applications. Despite its outstanding activity in the hydrogen oxidation reaction (HOR), platinum can be quickly poisoned by only very small amounts of CO. Therefore, high CO tolerant anode catalyst materials such as platinum (Pt)-ruthenium (Ru) alloy nanoparticles (NPs) supported on carbon (Pt-Ru/C) are used for PEMFCs supplied with reformate gas. (1) However, these Pt-Ru/C catalysts strongly suffer from the Ru dissolution followed by the crossover through the membrane to the cathode. At th

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El-Sayed, Mostafa A. "Preface." Pure and Applied Chemistry 72, no. 1-2 (2000): vii. http://dx.doi.org/10.1351/pac20007201ii.

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This issue of Pure Appl. Chem. is devoted to papers based upon invited lectures delivered at the first IUPAC-sponsored Workshop on Advanced Material, "WAM1: Nanostructured Systems", held at the Hong Kong University for Science and Technology (HKUST) on July 14-18, 1999.The Topic Why nanostructured material? Chemists contribute to the well-being of society by exploiting the properties of the elements of the periodic table, or various forms of combination of elements, to make materials that are useful for "better living through chemistry." What happens if we use all the possible combinations tha

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Yokelson, R. J., I. R. Burling, J. B. Gilman, et al. "Coupling field and laboratory measurements to estimate the emission factors of identified and unidentified trace gases for prescribed fires." Atmospheric Chemistry and Physics Discussions 12, no. 8 (2012): 21517–78. http://dx.doi.org/10.5194/acpd-12-21517-2012.

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Abstract. An extensive program of experiments focused on biomass burning emissions began with a laboratory phase in which vegetative fuels commonly consumed in prescribed fires were collected in the southeastern and southwestern US and burned in a series of 71 fires at the US Forest Service Fire Sciences Laboratory in Missoula, Montana. The particulate matter (PM2.5) emissions were measured by gravimetric filter sampling with subsequent analysis for elemental carbon (EC), organic carbon (OC), and 38 elements. The trace gas emissions were measured by an open-path Fourier transform infrared (OP-

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Yokelson, R. J., I. R. Burling, J. B. Gilman, et al. "Coupling field and laboratory measurements to estimate the emission factors of identified and unidentified trace gases for prescribed fires." Atmospheric Chemistry and Physics 13, no. 1 (2013): 89–116. http://dx.doi.org/10.5194/acp-13-89-2013.

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Abstract. An extensive program of experiments focused on biomass burning emissions began with a laboratory phase in which vegetative fuels commonly consumed in prescribed fires were collected in the southeastern and southwestern US and burned in a series of 71 fires at the US Forest Service Fire Sciences Laboratory in Missoula, Montana. The particulate matter (PM2.5) emissions were measured by gravimetric filter sampling with subsequent analysis for elemental carbon (EC), organic carbon (OC), and 38 elements. The trace gas emissions were measured by an open-path Fourier transform infrared (OP-

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Pylypchuk, Oleh, Oleh Strelko, and Yulia Berdnychenko. "PREFACE." History of science and technology 12, no. 1 (2022): 7–10. http://dx.doi.org/10.32703/2415-7422-2022-12-1-7-10.

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In the new issue, our scientific journal offers you nine scientific articles. As always, we try to offer a wide variety of topics and areas and follow current trends in the history of science and technology. The issue of the journal opens with an article dedicated to the formation and development of natural history museology in Europe in the 15th–19th centuries. The development of scientific knowledge at that time affects the idea of the world order and the place of man in it, and the combination of knowledge with practical experience leads to the birth of true science. It is shown that one of

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"Secondary neutral mass spectrometry using three-colour resonance ionization: osmium detection at the p.p.b. level and iron detection in silicon at the < 200 p.p.t. level." Philosophical Transactions of the Royal Society of London. Series A: Physical and Engineering Sciences 333, no. 1628 (1990): 133–46. http://dx.doi.org/10.1098/rsta.1990.0143.

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Among the many uses of resonantly enhanced multiphoton ionization (REMPI) spectroscopy, secondary neutral mass spectrometry (SNMS) is both one of the most demanding and one of the most important. Recently, we have demonstrated that the selectivity of REMPI, and thus the sensitivity of SNMS, can be greatly enhanced by using resonant excitation schemes involving multiple resonant processes. Of particular interest is the use of autoionizing resonances, resonances with energies in excess of the ionization potential of the atom, in the REMPI process. The use of autoionizing resonances can reduce th

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Lousada, Cláudio M., and Atharva M. Kotasthane. "Hydrogen adsorption on fcc metal surfaces towards the rational design of electrode materials." Scientific Reports 14, no. 1 (2024). http://dx.doi.org/10.1038/s41598-024-71703-w.

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AbstractThe successful large-scale implementation of hydrogen as an energy vector requires high performance electrodes and catalysts made of abundant materials. Rational materials design strategies are the most efficient means of reaching this goal. Here we present a study on the adsorption of H-atoms onto fcc transition metal surfaces and propose descriptors for the rational design of electrodes and catalysts by means of correlations between fundamental properties of the materials and among other properties, their experimentally measured performance as hydrogen evolution electrodes (HEE). A l

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Kheifets, Anatoly S. "Resonant photoionization and time delay." Journal of Physics B: Atomic, Molecular and Optical Physics, March 12, 2025. https://doi.org/10.1088/1361-6455/adbfea.

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Abstract Resonances leave prominent signatures in atomic and molecular ionization triggered by the absorption of single or multiple photons. These signatures reveal various aspects of the ionization process, characterizing both the initial and ﬁnal states of the target. Resonant spectral features are typically associated with sharp variations in the photoionization phase, providing an opportunity for laser-assisted interferometric techniques to measure this phase and convert it into a photoemission time delay. This time delay oﬀers a precise characterization of the timing of the photoemission

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Kahil, Mohamed, Nabil Joudieh, and Nidal Chamoun. "Relativistic effects on Properties of Halogen Group Elements/Ions." Physica Scripta, January 16, 2025. https://doi.org/10.1088/1402-4896/adab2e.

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Abstract This study investigates the influence of relativistic effects on some atomic properties of the halogen group and gold atoms, including their ions (±1). The analysis covers radii, orbital’s energy, first and second ionization energies, electron affinity, and polarizability. The study confirms that the p1/2orbitals contract under relativistic effects, whereas for the p3/2 orbitals, the mass-velocity and spin-orbit effects do not appear to cancel each other out completely. This may indicate that the spin-orbit effect grows, when increasing the atomic number, slightly faster than the mass

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Hao, Xiaolei, Yuxing Bai, Chan Li, et al. "Recollision of excited electron in below-threshold nonsequential double ionization." Communications Physics 5, no. 1 (2022). http://dx.doi.org/10.1038/s42005-022-00809-2.

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AbstractRecollision is the most important post-tunneling process in strong-field physics, but so far has been restricted to interaction between the first ionized electron and the residual ion in nonsequential double ionization. Here we identify the role of recollision of the second ionized electron in the below-threshold nonsequential double ionization process by introducing a Coulomb-corrected quantum-trajectories method. We will reproduce the experimentally observed cross-shaped and anti-correlated patterns in correlated two-electron momentum distributions, and the transition between them. B

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Pandey, Alpana, Ghanshyam Purohit, Daiji Kato, and Wolfgang Quint. "Electron impact triple differential cross sections of Xe atoms for coplanar to perpendicular plane single ionisation at 60 eV, 80 eV and 100 eV above ionization." Journal of Physics B: Atomic, Molecular and Optical Physics, December 6, 2023. http://dx.doi.org/10.1088/1361-6455/ad12d6.

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Abstract The evolution of the triple differential cross section (TDCS) for the electron impact ionization of&#xD;xenon atoms is reported for the variation of momentum of the projectile electron from a coplanar&#xD;geometry to a perpendicular plane through intermediate angles with the detection plane. The&#xD;TDCSs have been calculated for the Xe atoms at 60 eV, 80 eV and 100 eV above the ionization&#xD;potential (IP). We have calculated the TDCS using distorted wave Born approximation (DWBA),&#xD;utilizing both the first and second Born terms. Effects of target polarization

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Rahmatpour, E., and A. Esmaeili. "Introducing a new exchange functional by altering the electron density’s ionization dependency in density functional theory." Scientific Reports 14, no. 1 (2024). http://dx.doi.org/10.1038/s41598-024-53341-4.

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AbstractEach of the exchange–correlation functionals in the density functional theory has been customized to particular systems or elements and has unique advantages and disadvantages. In one of the most recent research on exchange–correlation functionals, Chachiyo et al. present a relationship for exchange–correlation functional by assuming the simplest form of electron density. Their utilized electron density causes a systematic inaccuracy in the energy of the molecules since it does not fully account for the variation of the ionization energy for different atoms. We offer a novel relationsh

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Srivastava, Harshita, and Ambrish Kumar Srivastava. "Exploring the Superalkali Regime: Ab Initio Analysis of FnMn+1+ Cationic Clusters (M = Li, Na, K; n = 1-7)." Electronic Structure, February 4, 2025. https://doi.org/10.1088/2516-1075/adb229.

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Abstract Superalkalis with low ionization energies (IEs) has properties mimicking those of alkali atoms, therefore serving as potentially useful elements for constructing innovative nanostructured materials. Ab initio techniques were successfully utilized for investigating entirely new classes of linear metallic superalkali cationic clusters, FnMn+1+ cations (M = Li, Na and K and n = 1-7) using second-order Møller- Plesset perturbation theory (MP2). We have demonstrated a connection between the core atoms and the structural characteristics of such clusters by analyzing the NBO charge, bond dis

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Xie, Xinhua. "Strong-field-assisted x-ray second harmonic generation." Physical Review Research 7, no. 2 (2025). https://doi.org/10.1103/physrevresearch.7.023001.

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We theoretically demonstrate x-ray second harmonic generation (SHG) with strong-field-driven high harmonic generation (HHG) from core electrons in gas-phase atoms, highlighting its potential as a powerful spectroscopic tool for studying atomic and molecular systems. Our simulations confirm the generation of HHG with x-ray SHG (HHG-XSHG) from atomic core electrons through the rescattering of electrons from x-ray two-photon excitation and subsequent tunneling ionization in an optical laser field. The resulting HHG-XSHG spectrum features a broadband multipeak structure and a distinct spectral cut

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