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The absorption energy of atomic hydrogen at rotated graphene bilayers is studied using ab initio methods based on the density functional theory including van der Waals interactions. We find that, due to the surface corrugation induced by…

Mesoscale and Nanoscale Physics · Physics 2017-10-06 Ivan Brihuega , Felix Yndurain

The absorption spectra of single-layer GaSe and GaTe in the hexagonal phase feature exciton peaks with distinct polarization selectivity. We investigate these distinct features from first-principle calculations using the GW-BSE formalisms.…

Materials Science · Physics 2018-05-11 Gabriel Antonius , Diana Y. Qiu , Steven G. Louie

We present the direct detection of molecular hydrogen at the highest redshift known today (z_abs=4.224) in a Damped Lyman-alpha (DLA) system toward the quasar PSS J1443+2724. This absorber is remarkable for having one of the highest…

Astrophysics · Physics 2009-11-11 C. Ledoux , P. Petitjean , R. Srianand

We present high spectral resolution (~3 km/s) observations of the nu_2 ro-vibrational band of H2O in the 6.086--6.135 micron range toward the massive protostar AFGL 2591 using the Echelon-Cross-Echelle Spectrograph (EXES) on the…

The absorption of bulk acoustic phonons in a two-dimensional (2D) GaAs/AlGaAs heterostructure is studied (in the clean limit) where the 2D electron-gas (2DEG), being in an odd-integer quantum-Hall state, is in fact a spin dielectric. Of the…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 S. Dickmann

We analyze optical soliton propagation in the presence of weak absorption lines with much narrower linewidths as compared to the soliton spectrum width using the novel perturbation analysis technique based on an integral representation in…

Optics · Physics 2010-03-25 V. L. Kalashnikov , E. Sorokin

We report the absorption profile of isolated Flavin Adenine Dinucleotide (FAD) mono-anions recorded using Photo-Induced Dissociation action spectroscopy. In this charge state, one of the phosphoric acid groups is deprotonated and the…

The absorption spectrum of the title compound in the spectral range of the Hydrogen-bonded OH-stretching vibration has been investigated using a five-dimensional gas phase model as well as a QM/MM classical molecular dynamics simulation in…

Chemical Physics · Physics 2015-05-14 Yun-an Yan , M. Petković , Gireesh M. Krishnan , Oliver Kühn

Together with the 74 lines belonging to (0,9,0)-(0,0,0) band, the high-resolution absorption spectrum of H2O+ was observed in the visible region of 16680 -17300 (cm-1) using optical heterodyne magnetic rotation enhanced velocity modulation…

Optics · Physics 2007-05-23 Hua Zhuang , Yangqin Chen , Wenhai Ji , Shenghai Wu , Zhiyi Bi , Longsheng Ma

The dynamics of pigment-pigment and pigment-protein interactions in light-harvesting complexes is studied with a novel approach which combines molecular dynamics (MD) simulations with quantum chemistry (QC) calculations. The MD simulations…

Biological Physics · Physics 2009-11-07 Ana Damjanovic , Ioan Kosztin , Klaus Schulten

Optical absorption spectra of poly(thiophene vinylene) (PTV) conjugated polymers have been studied at room temperature in the spectral range of 450 to 800 nm. A dominant peak located at 577 nm and a prominent shoulder at 619 nm are…

Chemical Physics · Physics 2008-02-06 A. V. Gavrilenko , T. D. Matos , C. E. Bonner , S. -S. Sun , C. Zhang , V. I. Gavrilenko

We present a study of resonant vibrational coupling between adsorbates and an elastic substrate at low macroscopic coverages. In the first part of the paper we consider the situation when adsorbates form aggregates with high local coverage.…

Materials Science · Physics 2009-10-31 M. V. Pykhtin , Andrew M. Rappe , Steven P. Lewis

The electronic absorption (EA), circular dichroism (ECD), and anisotropy spectra of the L-valine zwitterion and D-glyceraldehyde are calculated by time-dependent density functional theory (TDDFT) with the M06-2X and B3LYP functionals. It is…

Chemical Physics · Physics 2021-01-27 Jie Su , Bingbing Suo , Patrick Cassam-Chenaï

Adsorption on a boundary line confining a monolayer of particles self-assembling into clusters is studied by MC simulations. We focus on a system of particles interacting via competing interaction potential in which effectively short-range…

Soft Condensed Matter · Physics 2020-01-22 E. Bildanau , J. Pȩkalski , V. Vikhrenko , A. Ciach

Electron stimulated desorption of cyclopentene from the Si(100)-2x1 surface is studied experimentally with cryogenic UHV STM and theoretically with transport, electronic structure, and dynamical calculations. Unexpectedly for a saturated…

Mesoscale and Nanoscale Physics · Physics 2016-08-31 N. L. Yoder , N. P. Guisinger , M. C. Hersam , R. Jorn , C. -C. Kaun , T. Seideman

We investigate the variation of the oscillation frequency of the Mg$^{2+}$ and O$^{2-}$ ions in the magnesium oxide lattice due to the interactions of the surface with water monolayers by means of Low Energy Electron Diffraction. Our key…

We report Raman scattering and visible to near-infrared absorption spectra of solid hydrogen under static pressure up to 285 GPa at 85-140 K. We obtain pressure dependences of vibron and phonon modes in agreement with previously determined…

Materials Science · Physics 2009-11-07 Alexander F. Goncharov , Eugene Gregoryanz , Russell J. Hemley , Ho-kwang Mao

The adsorption of polymer and surfactant molecules onto colloidal particles or droplets in solution can be characterized non-destructively by scattering techniques. In a first part, the general framework of Dynamic Light Scattering, Small…

Soft Condensed Matter · Physics 2007-05-24 Julian Oberdisse

By using a structured tungsten-polyurethane composite that is impedance-matched to water while simultaneously having a much slower longitudinal sound speed, we have theoretically designed, and experimentally realized, an underwater acoustic…

Hypersound Absorption of acoustic phonons having $ql>>1$ in a degenerate Carbon Nanotube (CNT) with linear energy dispersion near the Fermi level was theoretically studied. The general expression for the absorption coefficient ($\Gamma$)…

Mesoscale and Nanoscale Physics · Physics 2015-07-02 K. A. Dompreh , N. G. Mensah , S. Y. Mensah , S. S. Abukari , F. Sam , R. Edziah