Zobrazeno 1 - 10 of 228 pro vyhledávání: '"and John C. Hemminger"'
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High-Resolution X-ray Photoelectron Spectroscopy of Organometallic (C5H4SiMe3)3LnIII and [(C5H4SiMe3)3LnII]1– Complexes (Ln = Sm, Eu, Gd, Tb)
Autor: Daniel N. Huh, William J. Evans, Jared P. Bruce, John C. Hemminger, Sree Ganesh Balasubramani, Filipp Furche, Sierra R. Ciccone
Publikováno v: Journal of the American Chemical Society. 143:16610-16620
The capacity of X-ray photoelectron spectroscopy (XPS) to provide information on the electronic structure of molecular organometallic complexes of Ln(II) ions (Ln = lanthanide) has been examined for the first time. XPS spectra were obtained on the ai
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::829fe94af6ffde7e9406dc30e0a90358
https://doi.org/10.1021/jacs.1c06980
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3
Characterization of Fe2+ Aqueous Solutions with Liquid Jet X-ray Photoelectron Spectroscopy: Chloride Depletion at the Liquid/Vapor Interface Due to Complexation with Fe2+
Autor: John C. Hemminger, Jared P. Bruce
Publikováno v: The Journal of Physical Chemistry B. 123:8285-8290
Liquid jet X-ray photoelectron spectroscopy is used under near ambient pressure conditions to characterize Fe2+ aqueous solutions. Counter ions, such as Cl- and Br- ions, added to the solution lead to changes in the first solvation sphere of the Fe-a
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::b27c69708039ad539a10d15cccc9af44
https://doi.org/10.1021/acs.jpcb.9b06515
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5
Molecular Arrangement of a Mixture of Organosulfur Surfactants at the Aqueous Solution–Vapor Interface Studied by Photoelectron Intensity and Angular Distribution Measurements and Molecular Dynamics Simulations
Autor: J. Alfredo Freites, Bernd Winter, Robert Seidel, Tanza Lewis, Douglas J. Tobias, Anne B. Stephansen, John C. Hemminger, Stephan Thürmer
Publikováno v: The Journal of Physical Chemistry C. 123:8160-8170
Photoelectron angular distributions PADs from aqueous solution surfaces reveal details of the spatial arrangement of solute molecules at the solution gas phase interface. This is demonstrated here for mixed equimolar aqueous solutions of dimethyl sul
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b181845d75dd8a1e366d1ae31235dd8a
https://doi.org/10.1021/acs.jpcc.8b08260
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6
Specific cation effects at aqueous solution−vapor interfaces: Surfactant-like behavior of Li + revealed by experiments and simulations
Autor: John C. Hemminger, Krista M. Parry, Kathryn A. Perrine, Abraham C. Stern, Bernd Winter, Douglas J. Tobias, J. Alfredo Freites, Michael J. Makowski, Marijke H. C. Van Spyk
Publikováno v: Proceedings of the National Academy of Sciences of the USA
It is now well established by numerous experimental and computational studies that the adsorption propensities of inorganic anions conform to the Hofmeister series. The adsorption propensities of inorganic cations, such as the alkali metal cations, h
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f9e4890113930c2f59055f2693c6a15c
https://doi.org/10.1073/pnas.1707540114
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8
Effective one-particle energies from generalized Kohn–Sham random phase approximation: A direct approach for computing and analyzing core ionization energies
Autor: John C. Hemminger, Filipp Furche, Vamsee K. Voora, Randima P. Galhenage
Publikováno v: Voora, Vamsee K; Galhenage, Randima; Hemminger, John; & Furche, Filipp. (2019). Effective one-particle energies from generalized Kohn–Sham random phase approximation: A direct approach for computing and analyzing core ionization energies. UC Irvine: Retrieved from: http://www.escholarship.org/uc/item/9z65q3bx
The Journal of chemical physics, vol 151, iss 13
Generalized-Kohn-Sham (GKS) orbital energies obtained self-consistently from the random phase approximation energy functional with a semicanonical projection (spRPA) were recently shown to rival the accuracy of GW quasiparticle energies for valence i
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::85c8255e78795f2bdba67af9ba66e3c1
http://www.escholarship.org/uc/item/9z65q3bx
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9
Surface reconstruction of pure-Cu single-crystal electrodes under CO-reduction potentials in alkaline solutions: A study by seriatim ECSTM-DEMS
Autor: Chu F. Tsang, Kyle D. Cummins, Youn-Geun Kim, Manuel P. Soriaga, Jack H. Baricuatro, Daniel A. Torelli, John C. Hemminger, Alnald Javier
Publikováno v: Journal of Electroanalytical Chemistry. 780:290-295
Quasi-operando electrochemical scanning tunneling microscopy (ECSTM) recently showed that a polycrystalline Cu electrode kept in 0.1 M KOH at − 0.9 V (SHE), a potential very close to that for electrochemical CO reduction, underwent a two-step surfa
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::92051ac594c0716c6630a65508055b0c
https://doi.org/10.1016/j.jelechem.2016.09.029
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10
Orientation and Structure of Acetonitrile in Water at the Liquid–Vapor Interface: A Molecular Dynamics Simulation Study
Autor: Douglas J. Tobias, Michael J. Makowski, Abraham C. Stern, John C. Hemminger
Publikováno v: The Journal of Physical Chemistry C. 120:17555-17563
We report molecular dynamics simulations of acetonitrile–water binary solutions at concentrations of 0.032–0.59 mole fraction. We find that at low bulk concentration acetonitrile has an enhanced population near the liquid/vapor interface. The sur
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::77bebd4c0967b66ca7e2f79002325d3e
https://doi.org/10.1021/acs.jpcc.6b05448
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