Search Results - "WHITTEN, J. L"

Generation of Highly n-Type Titanium Oxide Using Plasma Fluorine Insertion by Seo, Hyungtak, Baker, L. Robert, Hervier, Antoine, Kim, Jinwoo, Whitten, J. L, Somorjai, Gabor A

“…True n-type doping of titanium oxide without formation of midgap states would expand the use of metal oxides for charge-based devices. We demonstrate that…”
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The distribution and purity of anorthosite across the Orientale basin: New perspectives from Moon Mineralogy Mapper data by Cheek, L. C., Donaldson Hanna, K. L., Pieters, C. M., Head, J. W., Whitten, J. L.

“…The Orientale basin is a multiring impact structure on the western limb of the Moon that provides a clear view of the primary lunar crust exposed during basin…”
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Geologic Context of the Bright MARSIS Reflectors in Ultimi Scopuli, South Polar Layered Deposits, Mars by Landis, M. E., Whitten, J. L.

“…Radar‐bright basal reflectors have been detected below the South Polar Layered Deposits (SPLD), using Mars Advanced Radar for Subsurface and Ionosphere…”
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Theory of chemisorption and reactions on metal surfaces by Whitten, J.L., Yang, H.

“…A review of theoretical methods used to describe chemisorption and adsorbate reactions on metal surfaces is contained in this report. A comprehensive…”
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Metal gate electrodes : Theoretical studies of Zr/ZrO2 and Hf/HfO2 interfaces by LUCOVSKY, G, WHITTEN, J. L

“…Ab initio quantum mechanical calculations have been performed on cluster models of Zr/ZrO2 and Hf/HfO2 interfaces. The theoretical method is a first principles…”
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Metal gate electrodes for devices with high-k gate dielectrics : Zr/ZrO2 and Hf/HfO2 intrinsic interfacial transition regions by LUCOVSKY, G, WHITTEN, J. L

“…Ab initio quantum mechanical calculations have been performed on cluster models of Zr/ZrO2 and Hf/HfO2 interfaces. These calculations give detailed predictions…”
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A subsurface depocenter in the South Polar Layered Deposits of Mars by Whitten, J. L., Campbell, B. A., Morgan, G. A.

“…The South Polar Layered Deposits (SPLD) are one of the largest water ice reservoirs on Mars, and their accumulation is driven by variations in the climate…”
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Separate and independent control of interfacial band alignments and dielectric constants in transition metal rare earth complex oxides by Lucovsky, G., Zhang, Y., Whitten, J.L., Schlom, D.G., Freeouf, J.L.

“…Spectroscopic studies of transition metal (Tm) and rare earth (Re) oxides, combined with ab initio theory, identify the band edge electronic structure of…”
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Radar Attenuation Characteristics of Low Reflectivity Zones in the Martian South Polar Layered Deposits by Abu Hashmeh, N., Whitten, J. L., Russell, A. T., Putzig, N. E.

“…Both sets of Martian polar layered deposits (PLDs) display semi‐rhythmic reflector stratigraphy in radargrams. The southern PLDs (SPLD), among other…”
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Comparable Bulk Radar Attenuation Characteristics Across Both Martian Polar Layered Deposits by Abu Hashmeh, N., Whitten, J. L., Russell, A. T., Putzig, N. E., Campbell, B. A.

“…The dust‐laden and predominantly water ice south polar layered deposits (SPLD) exhibit unique radar behavior at Shallow Radar (SHARAD) frequencies that is not…”
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Electronic structure of high-k transition metal oxides and their silicate and aluminate alloys by Lucovsky, G., Zhang, Y., Rayner, G. B., Appel, G., Ade, H., Whitten, J. L.

“…This article addresses differences between the electronic structure of: (i) alternative high-k transition metal (TM) rare earth dielectrics and (ii) SiO 2 and…”
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Conduction band-edge d-states in high-k dielectrics due to Jahn–Teller term splittings by Lucovsky, G., Fulton, C.C., Zhang, Y., Luning, J., Edge, L., Whitten, J.L., Nemanich, R.J., Schlom, D.G., Afanase'v, V.V.

“…X-ray absorption spectroscopy (XAS) is used to study conduction band edge electronic structure of high-k transition metal (TM) and trivalent lanthanide series…”
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Electron Attachment to Ethyl Adsorbed on Platinum by Whitten, J. L

“…Ab initio electronic structure calculations are performed on ethyl adsorbed on Pt(100) to investigate whether photoexcitation and the resulting electron…”
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Photoinduced dissociation of methylnitrite on Ag( [formula omitted]) by Sremaniak, L.S., Whitten, J.L.

“…Electronic excitations and photoinduced electron attachment states of methylnitrite (CH 3ONO) adsorbed on Ag(1 1 1) are investigated by ab initio methods. The…”
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Adsorption of SH and OH and coadsorption of S, O and H on Ni(111) by Yang, Hong, Whitten, Jerry L.

“…The adsorption of SH and OH radicals on Ni(111) is treated using an ab initio embedding theory. The Ni(111) surface is modeled as a three-layer, 28-atom…”
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Local atomic structure and infrared effective charges in tetrahedrally-bonded glasses from ab initio theory electronic structure calculations by Lucovsky, G., Mowrer, T., Sremaniak, L.S., Whitten, J.L.

“…Ab initio calculations are applied to small clusters containing the elements of short range order determined from X-ray and electron diffraction radial…”
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O-vacancies in transition metal (TM) oxides: Coordination and local site symmetry of transition and negative ion states in TM2O3 and TMO2 oxides by LUCOVSKY, G, ZELLER, D, WHITTEN, J. L

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A new approach for calculating the electronic structure and vibrational properties of non-crystalline solids: Effective charges for infrared-active normal mode vibrations in oxide and chalcogenide materials by Lucovsky, G, Sremaniak, L.S, Mowrer, T, Whitten, J.L

“…This paper applies ab initio calculations to small clusters with short range bonding order for oxide and chalcogenide dielectrics that form continuous random…”
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Chemical bonding and graded interfacial transition regions at transition metal, Hf(Zr), /high-k gate dielectric, Hf(Zr)O2, interfaces by LUCOVSKY, G, WHITTEN, J. L

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Use of exchange maximization to generate starting vectors for self-consistent field calculations on metal cluster/adsorbate systems by Buenker, R. J., Whitten, J. L., Izgorodina, E. I., Liebermann, H.-P., Kokh, D. B.

“…Localized molecular orbitals (LMOs) derived from exchange maximization with respect to all atom‐centered basis functions in the basis set are shown to generate…”
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