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We report on hydrogen adsorption and desorption on titanium-covered graphene in order to test theoretical proposals to use of graphene functionalized with metal atoms for hydrogen storage. At room temperature titanium islands grow with an…

Chemical Physics · Physics 2013-12-06 Torge Mashoff , Makoto Takamura , Shinichi Tanabe , Hiroki Hibino , Fabio Beltram , Stefan Heun

We investigate the adsorption of molecular hydrogen on pristine zinc oxide (ZnO) platelets. The volumetric and gravimetric hydrogen storage capacities of the ZnO monolayers are evaluated in a broad range of thermodynamic conditions (i.e.,…

We present experimental measurements of photodesorption from ices of astrophysical relevance. Layers of benzene and water ice were irradiated with a laser tuned to an electronic transition in the benzene molecule. The translational energy…

Recently, we have predicted [Phys. Rev. Lett. 97, 226102 (2006)] that a single ethylene molecule can form stable complexes with light transition metals (TM) such as Ti and the resulting TMn-ethylene complex can absorb up to ~12 and 14 wt %…

Materials Science · Physics 2009-11-13 W. Zhou , T. Yildirim , E. Durgun , S. Ciraci

The use of a novel three-dimensional graphene structure allows circumventing the limitations of the two-dimensional nature of graphene and its application in hydrogen absorption. Here we investigate hydrogen-bonding on monolayer graphene…

The anchoring of benzene molecules on lithium adsorption sites at the surface of graphene and nanoribbons thereof are investigated. The effects of adsorbate densities, specific adsorption locations, and spin states on the structural…

Materials Science · Physics 2013-10-01 Dana Krepel , Oded Hod

Intermetallic compounds such as {A$_{2}$B$_{7}$} alloys are promising candidates for mobile hydrogen storage applications due to their high and reversible hydrogen absorption capacity. We compute the absorption isotherm of…

The thermodynamics of adsorption of light alkanes and alkenes (CH4, C2H6, C2H4, C3H8, and C3H6) in single-walled carbon nanotube bundles is studied by configurational-bias grand canonical Monte Carlo simulation. The bundles consist of…

Mesoscale and Nanoscale Physics · Physics 2016-05-05 Fernando J. A. L. Cruz , José P. B. Mota

The process of hydrogen desorption from graphane (graphene sheet saturated by hydrogen adsorbed from both sides) has been studied using the method of molecular dynamics. The temperature dependences of the time of desorption onset for…

Mesoscale and Nanoscale Physics · Physics 2010-01-08 L. A. Openov , A. I. Podlivaev

Metal hydrides (MH) are often preferred to absorb and desorb hydrogen at ambient temperature and pressure with a high volumetric density. These hydrogen storage alloys create promising prospects for hydrogen storage and can solve the…

Materials Science · Physics 2012-07-17 N. G. Anagnostou , S. S. Makridis , E. S. Kikkinides , C. N. Christodoulou , A. K. Stubos

The adsorption of hydrogen at nonpolar GaN(1-100) surfaces and its impact on the electronic and vibrational properties is investigated using surface electron spectroscopy in combination with density functional theory (DFT) calculations. For…

Materials Science · Physics 2017-06-28 L. Lymperakis , J. Neugebauer , M. Himmerlich , S. Krischok , M. Rink , J. Kröger , V. M. Polyakov

We have carried out a series of helium atom scattering measurements in order to characterise the adsorption properties of hydrogen on antimony(111). Molecular hydrogen does not adsorb at temperatures above 110 K in contrast to…

Materials Science · Physics 2017-05-25 Patrick Kraus , Christian Gösweiner , Anton Tamtögl , Florian Apolloner , Wolfgang E. Ernst

Due to the presence of strong static correlation effects and noncovalent interactions, accurate prediction of the electronic and hydrogen storage properties of Li-adsorbed acenes with n linearly fused benzene rings (n = 3 - 8) has been very…

Chemical Physics · Physics 2016-09-12 Sonai Seenithurai , Jeng-Da Chai

We describe experiments with spin-polarized atomic hydrogen gas adsorbed on liquid $^{4}$He surface. The surface gas density is increased locally by thermal compression up to $5.5\times10^{12}$ cm$^{-2}$ at 110 mK. This corresponds to the…

Other Condensed Matter · Physics 2009-11-11 J. Järvinen , J. Ahokas , S. Vasiliev

Transmission spectroscopy to date has detected atomic and molecular absorption in Jupiter-sized exoplanets, but intense efforts to measure molecular absorption in the atmospheres of smaller (Neptune-sized) planets during transits have…

A temperature-pressure phase diagram has been generated through the study of hydrogen adsorption on the (N_4 C_3 H)_6Li_6 cluster at the B3LYP/6-31G(d) level of theory. Possibility of hydrogen storage in an associated 3D functional material…

Atomic and Molecular Clusters · Physics 2011-06-01 R. Das , P. K. Chattaraj

Hydrogen is a promising alternative energy carrier that can potentially facilitate the transition from fossil fuels to sources of clean energy because of its prominent advantages such as high energy density (142 MJ per kg), great variety of…

Mesoscale and Nanoscale Physics · Physics 2013-04-19 S. S. Makridis , E. Gkanas , G. Panagakos , E. S. Kikkinides , A. K. Stubos , P. Wagener , S. Barcikowski

A reliable process for compressing hydrogen and for removing all contaminants is that of the metal hydride thermal compression. The use of metal hydride technology in hydrogen compression applications though, requires thorough structural…

Materials Science · Physics 2014-01-15 E. D. Koultoukis , E. I Gkanas , S. S. Makridis , C. N. Christodoulou , D. Fruchart , A. K. Stubos

Bose-Einstein condensation is a phenomenon well known for material particles as cold atomic gases, and this concept has in recent years been extended to photons confined in microscopic optical cavities. Essential for the operation of such a…

Infrared absorption cross sections near 3.3 $\mu$m have been obtained for ethane, C$_{2}$H$_{6}$. These were acquired at elevated temperatures (up to 773 K) using a Fourier transform infrared spectrometer and tube furnace with a resolution…

Earth and Planetary Astrophysics · Physics 2019-04-05 Robert J. Hargreaves , Eric Buzan , Michael Dulick , Peter F. Bernath
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