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Sorption of gases in micro- and mesoporous materials is typically interpreted on the basis of idealized structural models where real structure effects such as defects and disorder are absent. For covalent organic frameworks (COFs)…

The following study investigates the thermodynamic reaction barriers during nitrogen fixation for an inorganic sulfur desorbed photocatalyst Molybdenum disulfide surface. The design space is investigated using an density functional theory…

Chemical Physics · Physics 2017-07-28 Alhassan S. Yasin , Nianqiang Wu , Terence Musho

Heating a long-range ordered adsorbate phase beyond its stability temperature does not necessarily result in a disordered phase, it can also break up into heavily fluctuating ordered domains. Temporal and/or spatial averaging over these…

Previously unobserved nitrous oxide transitions around 2.5 $\mu$m are measured by intracavity laser absorption spectroscopy (ICLAS) analyzed by time-resolved Fourier transform (TRFT) spectrometer. With an accuracy of the order of 10^-3…

Chemical Physics · Physics 2016-08-16 Hervé Herbin , Nathalie Picqué , Guy Guelachvili , Evgeni Sorokin , Irina T. Sorokina

High-temperature Cu-Mn-Fe spinel-oxide nanoparticle solar selective absorber coatings are investigated experimentally and theoretically. A reliable, general approach to evaluate absorption coefficient spectra from the optical measurements…

Mesoscale and Nanoscale Physics · Physics 2023-01-04 Xiaoxin Wang , Can Xu , Jifeng Liu

Nickel and Rhodium (001) surfaces display a similar - as from STM images - clock reconstruction when half a monolayer of C/Ni, N/Ni or O/Rh is adsorbed; no reconstruction is observed instead for O/Ni. Adsorbate atoms sit at the center of…

Materials Science · Physics 2009-10-31 Dario Alfe` , Stefano de Gironcoli , Stefano Baroni

Surface adsorption of C$_{60}$ affects its chemical and electronic properties. Numerous studies have reported observation of bright and dark fullerenes on metal surfaces that suggest extensive surface reconstruction, however, the…

Materials Science · Physics 2021-12-01 Leonardo Forcieri , Simon Taylor , Philip Moriarty , Samuel P Jarvis

A nearly-free-electron (NFE) model to describe STM spectroscopy of (111) metal surfaces with Kondo impurities is presented. Surface states are found to play an important role giving a larger contribution to the conductance in the case of…

Strongly Correlated Electrons · Physics 2009-11-10 J. Merino , O. Gunnarsson

Extensive density-functional calculations on atomic chemisorption of H, B, C, N, O, F, Al, Si, P, S, and Cl on the polar TiC(111) and TiN(111) yield similar adsorption trends for the two surfaces: (i) pyramid-like adsorption-energy trends…

Materials Science · Physics 2009-11-11 Aleksandra Vojvodic , Carlo Ruberto , Bengt I. Lundqvist

Here we present an angle-resolved photoelectron spectroscopy (ARPES), x-ray absorption spec-troscopy (XAS), and density-functional theory (DFT) investigations of water and ammonia ad-sorption on graphene/Ni(111). Our results on…

Materials Science · Physics 2015-05-27 S. Boettcher , M. Weser , Yu. S. Dedkov , K. Horn , E. N. Voloshina , B. Paulus

This study explores atomic and molecular adsorption on a number of early transition-metal carbides (TMC's) by means of density-functional theory calculations. Trend studies are conducted with respect to both period and group in the periodic…

Materials Science · Physics 2012-05-14 Aleksandra Vojvodic , Carlo Ruberto , Bengt I. Lundqvist

The evolution of titanyl-phthalocyanine (TiOPc) thin films on Ag(111) has been investigated using IRAS, SPA-LEED and STM. In the (sub)monolayer regime various phases are observed that can be assigned to a 2D gas, a commensurate and a…

A study on the NO2 gas sorption ability of amorphous Ge33Se67 coated quartz crystal microbalance (QCM) is presented. The thin films have been characterized before and after sorption/desorption processes of NO2 by energy-dispersive X-ray…

Disordered Systems and Neural Networks · Physics 2012-09-11 Velichka Georgieva , Maria Mitkova , Ping Chen , Dmitri Tenne , Kasandra Wolf , Victoria Gadjanova

The electronic structure of high-quality van der Waals NiPS$_3$ crystals was studied using near-edge x-ray absorption spectroscopy (NEXAFS) and resonant photoelectron spectroscopy (ResPES) in combination with density functional theory (DFT)…

Theory of adsorption on a surface with nanolocal defects is proposed. Two efficacy parameters of surface modification for nanotechnological purposes are introduced, where the modification is a creation of nanolocal artificial defects. The…

Chemical Physics · Physics 2009-10-31 Yu. E. Lozovik , A. M. Popov

We have studied the O and Ne absorption features in the X-ray spectrum of Cyg X-2 observed with the Chandra LETG. The O absorption edge is represented by the sum of three absorption-edge components within the limit of the energy resolution…

Astrophysics · Physics 2009-11-07 Yoh Takei , Ryuichi Fujimoto , Kazuhisa Mitsuda , Takashi Onaka

We present results from spectral analysis of ASCA data on the NLS1 Mrk 507. This galaxy was found to have an exceptionally flat ROSAT spectrum among the NLS1s. The ASCA spectrum however shows a clear absorption feature in the energy band…

Astrophysics · Physics 2009-10-30 K. Iwasawa , W. N. Brandt , A. C. Fabian

Cesium adsorption structures on Ag(111) were characterized in a low-temperature scanning tunneling microscopy experiment. At low coverages, atomic resolution of individual Cs atoms is occasionally suppressed in regions of an otherwise…

Materials Science · Physics 2009-11-13 M. Ziegler , J. Kroeger , R. Berndt , A. Filinov , M. Bonitz

The equation of state for ultra-dense matter can be tested from observations of the ratio of mass to radius of neutron stars. This could be measured precisely from the redshift of a narrow line produced on the surface. X-rays bursts have…

High Energy Astrophysical Phenomena · Physics 2018-02-14 Hiroki Yoneda , Chris Done , Frits Paerels , Tadayuki Takahashi , Shin Watanabe

We present a model treating the kinetics of adsorption of soluble surface-active molecules at the interface between an aqueous solution and another fluid phase. The model accounts for both the diffusive transport inside the solution and the…

Soft Condensed Matter · Physics 2007-05-23 H. Diamant , D. Andelman
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