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Physical Sciences and Mathematics Commons

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Articles 1 - 6 of 6

Full-Text Articles in Physical Sciences and Mathematics

Direct Observation Of H2 Binding To A Metal Oxide Surface, J. Z. Larese, T. Arnold, L. Frazier, R. J. Hinde, A. J. Ramirez-Cuesta Oct 2008

Direct Observation Of H2 Binding To A Metal Oxide Surface, J. Z. Larese, T. Arnold, L. Frazier, R. J. Hinde, A. J. Ramirez-Cuesta

Chemistry Publications and Other Works

Inelastic neutron scattering is used to probe the dynamical response of H2 films adsorbed on MgO(100) as a function of film thickness. Concomitant diffraction measurements and a reduced-dimensionality quantum dynamical model provide insight into the molecule-surface interaction potential. At monolayer thickness, the rotational motion is strongly influenced by the surface, so that the molecules behave like quasiplanar rotors. These findings have a direct impact on understanding how molecular hydrogen binds to the surface of materials used in catalytic and storage applications.


Cross Sections Fall 2008, Department Of Physics And Astronomy Oct 2008

Cross Sections Fall 2008, Department Of Physics And Astronomy

Cross Sections

No abstract provided.


Cross Sections Spring 2008, Department Of Physics And Astronomy Apr 2008

Cross Sections Spring 2008, Department Of Physics And Astronomy

Cross Sections

No abstract provided.


Biofuels '101' Sp700-A, The University Of Tennessee Agricultural Extension Service Mar 2008

Biofuels '101' Sp700-A, The University Of Tennessee Agricultural Extension Service

Biofuels

Biofuels continue to contribute to the attainment of the energyrelated goals of the United States, including increasing energy security and reducing the environmental degradation linked to transportation fuels. Demand for biofuel production will increase as new technologies are deployed and adopted by producers and consumers. The composition of feedstock for biofuel production, such as grain, will continue to grow. But when grain production has reached full capacity, alternative feedstocks will be needed to meet demand. The potential economic implications of biofuel production are wide-ranging and warrant further attention, especially in rural areas where the feedstocks originate.


A Six-Dimensional H2–H2 Potential Energy Surface For Bound State Spectroscopy, Robert Hinde Jan 2008

A Six-Dimensional H2–H2 Potential Energy Surface For Bound State Spectroscopy, Robert Hinde

Chemistry Publications and Other Works

We present a six-dimensional potential energy surface for the (H2)2 dimer based on coupled-cluster electronic structure calculations employing large atom-centered Gaussian basis sets and a small set of midbond functions at the dimer’s center of mass. The surface is intended to describe accurately the bound and quasibound states of the dimers (H2)2, (D2)2, and H2–D2 that correlate with H2 or D2 monomers in the rovibrational levels (v, j) =(0,0), (0,2), (1,0), and (1,2). We employ a close-coupled approach to compute the …


Utk Geography Newsletter 8 (2008), Department Of Geography Jan 2008

Utk Geography Newsletter 8 (2008), Department Of Geography

UTK Geography Newsletter

No abstract provided.