Search Results - "Peles, Amra"

Electrocatalysis on Platinum Nanoparticles: Particle Size Effect on Oxygen Reduction Reaction Activity by Shao, Minhua, Peles, Amra, Shoemaker, Krista

“…We determined the size-dependent specific and mass activities of the oxygen reduction in HClO4 solutions on the Pt particles in the range of 1–5 nm. The…”
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Enhanced Oxygen Reduction Activity of Platinum Monolayer on Gold Nanoparticles by Shao, Minhua, Peles, Amra, Shoemaker, Krista, Gummalla, Mallika, Njoki, Peter N, Luo, Jin, Zhong, Chuan-Jian

“…The increase in oxygen binding energy was previously proposed to account for the lower oxygen reduction activity of a Pt monolayer supported on Au(111) single…”
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Pt Monolayer Electrocatalyst for Oxygen Reduction Reaction on Pd-Cu Alloy: First-Principles Investigation by Amra Peles, Minhua Shao, Lesia Protsailo

“…First principles approach is used to examine geometric and electronic structure of the catalyst concept aimed to improve activity and utilization of precious…”
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The effect of SrFeO2.5 native point defects on its electrical properties: First principles investigations by Peles, Amra

“…•DFT computational study of structural, electronic and native point defects properties of SrFeO2.5.•Microscopic origins of SrFeO2.5 electrical conductivity is…”
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GGA+U method from first principles: application to reduction–oxidation properties in ceria-based oxides by Peles, Amra

“…We implement DFT calculations by a Hubbard-like correction for localized strongly correlated electrons, coupled with a generalized gradient approximation to…”
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Pt Monolayer on Porous Pd−Cu Alloys as Oxygen Reduction Electrocatalysts by Shao, Minhua, Shoemaker, Krista, Peles, Amra, Kaneko, Keiichi, Protsailo, Lesia

“…We demonstrate the synthesis of a core−shell catalyst consisting of a Pt monolayer as the shell and porous/hollow Pd−Cu alloy nanoparticles as the core. The…”
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Deep-learning based artificial intelligence tool for melt pools and defect segmentation by Peles, Amra, Paquit, Vincent C., Dehoff, Ryan R.

“…Accelerating fabrication of additively manufactured components with precise microstructures is important for quality and qualification of built parts, as well…”
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Enhanced Oxygen Reduction Activity of Platinum Monolayer with a Gold Interlayer on Palladium by Shao, Minhua, Peles, Amra, Odell, Jonathan

“…The activity of Pt monolayer supported on conventional (cuboctahedral) Pd nanoparticles for the oxygen reduction reaction was improved by 2-fold by introducing…”
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Role of charged defects and impurities in kinetics of hydrogen storage materials: A first-principles study by Peles, Amra, Van de Walle, Chris G.

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Manipulating the oxygen reduction activity of platinum shells with shape-controlled palladium nanocrystal cores by Shao, Minhua, He, Guannan, Peles, Amra, Odell, Jonathan H, Zeng, Jie, Su, Dong, Tao, Jing, Yu, Taekyung, Zhu, Yimei, Xia, Younan

“…The oxygen reduction reaction (ORR) activities of Pt shells were found to have a strong dependence on the surface structure by depositing them on Pd…”
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Liquid phase reforming of woody biomass to hydrogen by EMERSON, Sean C, TIANLI ZHU, DAVIS, Timothy D, PELES, Amra, YING SHE, WILLIGAN, Rhonda R, VANDERSPURT, Thomas H, SWANSON, Michael, LAUDAL, Daniel A

“…This work concentrates on the production of H2 directly from raw biomass through liquid phase reforming in the presence of a liquid base and a solid catalyst…”
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Deep-Learning Quantitative Structural Characterization in Additive Manufacturing by Peles, Amra, Paquit, Vincent C, Dehoff, Ryan R

“…With a goal of accelerating fabrication of additively manufactured components with precise microstructures, we developed a method for structural…”
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Deep-learning-based prediction of nanoparticle phase transitions during in situ transmission electron microscopy by Fu, Wenkai, Spurgeon, Steven R, Wang, Chongmin, Shao, Yuyan, Wang, Wei, Peles, Amra

“…We develop the machine learning capability to predict a time sequence of in-situ transmission electron microscopy (TEM) video frames based on the combined…”
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Frustrated magnets: A Monte Carlo study of stiffness, vorticity and topological excitations by Peles, Amra

“…The role of topological excitations in frustrated Heisenberg antiferromagnets between two and three spatial dimensions is studied as well as the controversial…”
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First-principles study of the formation and migration of native defects in NaAlH 4 by Wilson-Short, Gareth B., Janotti, Anderson, Hoang, Khang, Peles, Amra, Van de Walle, Chris G.

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Formation and migration of native defects in NaAlH$_4 by Wilson-Short, Gareth B, Janotti, Anderson, Hoang, Khang, Peles, Amra, Van de Walle, Chris G

“…Phys. Rev. B 80, 224102 (2009) We present a first-principles study of native defects in NaAlH$_4$. Our analysis indicates that the structure and energetics of…”
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