Search Results - "Brooks Hinojosa, Beverly"

Energy landscape in frustrated systems: Cation hopping in pyrochlores by Brooks Hinojosa, Beverly, Asthagiri, Aravind, Nino, Juan C.

“…We investigate the dynamics of the local environment and electronic structure in inherently dipolar frustrated pyrochlore compounds to help identify the…”
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Capturing dynamic cation hopping in cubic pyrochlores by Brooks Hinojosa, Beverly, Asthagiri, Aravind, Nino, Juan C.

“…In direct contrast to recent reports, density functional theory predicts that the most stable structure of Bi 2 Ti 2 O 7 pyrochlore is a cubic Fd 3 ¯ m space…”
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Bi2Ti2O7: It Is Not What You Have Read by Esquivel-Elizondo, J. Roberto, Hinojosa, Beverly Brooks, Nino, Juan C

“…Coprecipitation synthesis methods followed by microwave sintering techniques were utilized to obtain dense phase pure Bi2Ti2O7 polycrystalline ceramic pellets…”
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First-principles study of cubic Bi pyrochlores by Hinojosa, Beverly Brooks, Nino, Juan C., Asthagiri, Aravind

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Bi 2 Ti 2 O 7 : It Is Not What You Have Read by Esquivel-Elizondo, J. Roberto, Hinojosa, Beverly Brooks, Nino, Juan C.

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A first-principles study of H2O adsorption and dissociation on the SrTiO3(100) surface by Hinojosa, Beverly Brooks, Van Cleve, Tim, Asthagiri, Aravind

“…We use density functional theory (DFT) to examine the adsorption of H 2 O on the SrO- and TiO 2 -terminated SrTiO 3 (100) surface. At coverages of 0.5…”
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Atomistic simulations of the adsorption and migration barriers of Cu adatoms on ZnO surfaces using COMB potentials by Cheng, Yu-Ting, Shan, Tzu-Ray, Devine, Bryce, Lee, Donghwa, Liang, Tao, Hinojosa, Beverly B., Phillpot, Simon R., Asthagiri, Aravind, Sinnott, Susan B.

“…Cu/ZnO heterogeneous systems are used to catalyze the CO2 hydrogenation to methanol, but questions remain about the nature of the active site and the role of…”
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Applicability of the Bruggeman Equation for Analyzing Dielectric Slurries Containing Ceramic Powders with High Permittivity by Zhou, Wei, Hinojosa, Beverly Brooks, Nino, Juan C.

“…Based on effective medium theory, the Bruggeman equation and Maxwell‐Wagner (M‐W) equation were applied to extract the permittivity of SrTiO3 and BaTiO3…”
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The influence of sulfur substitution on the atomic displacement in Bi{sub 2}Ti{sub 2}O{sub 7} by Hinojosa, Beverly Brooks, Lang, Paul M., Asthagiri, Aravind

“…To clarify the role of A{sub 2}O' and B{sub 2}O{sub 6} networks on cation displacement observed in Bi{sub 2}Ti{sub 2}O'O{sub 6}, we used density functional…”
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The influence of sulfur substitution on the atomic displacement in Bi 2Ti 2O 7 by Hinojosa, Beverly Brooks, Lang, Paul M., Asthagiri, Aravind

“…To clarify the role of A 2O′ and B 2O 6 networks on cation displacement observed in Bi 2Ti 2O′O 6, we used density functional theory calculations to examine…”
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The influence of sulfur substitution on the atomic displacement in Bi2Ti2O7 by HINOJOSA, Beverly Brooks, LANG, Paul M, ASTHAGIRI, Aravind

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A first-principles study of H 2 O adsorption and dissociation on the SrTiO 3 (100) surface by Hinojosa, Beverly Brooks, Van Cleve, Tim, Asthagiri, Aravind

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Atomic structure effects on bulk and surface properties of mixed metal oxides from first principles simulations by Hinojosa, Beverly Brooks

“…Oxides are a class of materials that play a critical role in many applications, including both electronic and catalytic. The hundreds of different oxides that…”
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Atomic structure effects on bulk and surface properties of mixed metal oxides from first principles simulations by Hinojosa, Beverly Brooks

“…Oxides are a class of materials that play a critical role in many applications, including both electronic and catalytic. The hundreds of different oxides that…”
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