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In this study used is an approach based on measurements of the total energy distribution (TED) of field emitted electrons in order to examine the properties of Pd (133) from the aspect of both hydrogen adsorption and surface hydrides…

Other Condensed Matter · Physics 2009-11-13 A. Tomaszewska , Z. M. Stepien

Mean-field theory and scaling arguments are presented to model polyelectrolyte adsorption from semi-dilute solutions onto charged surfaces. Using numerical solutions of the mean-field equations, we show that adsorption exists only for…

Soft Condensed Matter · Physics 2009-11-10 A. Shafir , D. Andelman , R. R. Netz

Metals exhibit nonequilibrium electron and lattice subsystems at transient times following femtosecond laser excitation. In the past four decades, various optical spectroscopy and time-resolved diffraction methods have been used to study…

Chemical Physics · Physics 2024-05-17 Xing He , Mithun Ghosh , Ding-Shyue Yang

Electric fields arising from the distribution of charge in metal halide perovskite solar cells are critical for understanding the many weird and wonderful optoelectronic properties displayed by these devices. Mobile ionic defects are…

We study the dipole formation at the surface formed by -CH3 and -CF3 terminated shortchain alkyl-thiolate monolayers on Au(111). In particular, we monitor the change in work function upon chemisorption using density functional theory…

Materials Science · Physics 2007-05-23 P. C. Rusu , G. Brocks

The behavior of a polyelectrolyte adsorbed on a charged surface of high-dielectric constant is studied by both Monte-Carlo simulation and analytical methods. It is found that in a low ionic strength medium, the transition is first-order…

Soft Condensed Matter · Physics 2007-05-23 Chi-Ho Cheng , Pik-Yin Lai

Transition absorption of electromagnetic field energy by an electron passing through a boundary between two media with different dielectric permittivities is considered both classically and quantum mechanically. It is shown that transition…

The adsorption of hydrogen on the polar Zn-ended ZnO(0001) surface has been investigated by density functional {\it ab-initio} calculations. An on top H(1x1) ordered overlayer with genuine H-Zn chemical bonds is shown to be energetically…

Materials Science · Physics 2015-05-13 N. Sanchez , S. Gallego , J. Cerdá , M. C. Muñoz

Interactions between molecules and electrode surfaces play a key role in electrochemical processes and are a subject of extensive research, both experimental and theoretical. In this manuscript, we address the water dissociation reaction on…

Chemical Physics · Physics 2023-02-16 Karen Fidanyan , Guoyuan Liu , Mariana Rossi

The electronic conductance of a benzene molecule connected to gold electrodes via thiol, thiolate, and amino anchoring groups is calculated using nonequilibrium Green functions in combination with the fully selfconsistent GW approximation.…

Mesoscale and Nanoscale Physics · Physics 2015-03-18 M. Strange , C. Rostgaard , H. Hakkinen , K. S. Thygesen

A new scenario of thermalization process of the adsorbate attached at solid surfaces is proposed. The scenario is based on existence of electric dipole layer in which the electron wavefunctions extend over the positive ions. Thus the strong…

Chemical Physics · Physics 2017-04-26 Paweł Strak , Konrad Sakowski , Stanisław Krukowski

We present the first measurements of inter-subband absorption of microwaves in surface electrons on liquid helium subjected to perpendicular magnetic field B. In quantizing B, the power absorption shows intermittent regions of enhanced and…

Mesoscale and Nanoscale Physics · Physics 2013-04-23 Denis Konstantinov , Kimitoshi Kono

Electronic friction and the ensuing nonadiabatic energy loss play an important role in chemical reaction dynamics at metal surfaces. Using molecular dynamics with electronic friction evaluated on-the-fly from Density Functional Theory, we…

Materials Science · Physics 2017-08-02 Reinhard J. Maurer , Bin Jiang , Hua Guo , John C. Tully

The behavior of a polyelectrolyte adsorbed on a charged substrate of high-dielectric constant is studied by both Monte-Carlo simulation and analytical methods. It is found that in a low enough ionic strength medium, the adsorption…

Soft Condensed Matter · Physics 2007-05-23 Chi-Ho Cheng , Pik-Yin Lai

The effect of an electric field on the conductance of ultrathin films of metals deposited on substrates coated with a thin layer of amorphous Ge was investigated. A contribution to the conductance modulation symmetric with respect to the…

Superconductivity · Physics 2009-11-07 N. Markovic , C. Christiansen , G. Martinez-Arizala , A. M. Goldman

In this article, we have employed relativistic many-body theory to theoretically assess the suitability of TlF+ molecular ion in its ground state for electron electric dipole moment searches. To that end, we have computed values of the…

Atomic Physics · Physics 2022-10-12 R. Bala , V. S. Prasannaa , M. Abe , B. P. Das

The behavior of polyelectrolytes between charged surfaces immersed in semi-dilute solutions is investigated theoretically. A continuum mean field approach is used for calculating numerically concentration profiles between two electrodes…

Soft Condensed Matter · Physics 2007-05-23 I. Borukhov , D. Andelman , H. Orland

The effective potential of electron--electron interaction and the two-particle \textquotedblleft density--density\textquotedblright\ correlation function have been calculated for a simple semiinfinite metal making allowance for the…

Mesoscale and Nanoscale Physics · Physics 2015-03-29 B. M. Markovych , I. M. Zadvorniak

We study the temperature-dependent optical properties of gold over a broad energy spectrum covering photon energies below and above the interband threshold. We apply a semi-analytical Drude-Lorentz model with temperature-dependent…

Materials Science · Physics 2024-04-26 P. D. Ndione , S. T. Weber , D. O. Gericke , B. Rethfeld

The effect of electric field, applied on systems in the nanoscale regime has attracted a lot of research in recent times. We highlight some of the recent results in the field of single molecule electronics and then move on to focus on some…

Materials Science · Physics 2008-10-11 S. Lakshmi , Sudipta Dutta , Swapan K. Pati