Focus Session: Materials Functionality by Design

Presentations

• Theory of Band Warping and its Effects on Thermoelectronic Transport Properties

  ORAL

  March 3, 2015, 11:15 AM – March 3, 2015, 11:27 AM

  Authors

  • Nicholas Mecholsky

    • VSL/Catholic University of America
    • The Catholic University of America

  • Lorenzo Resca

    • VSL/Catholic University of America

  • Ian Pegg

    • VSL/Catholic University of America

  • Marco Fornari

    • Central Michigan University

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• Effective Thermal Properties and Thermal Boundary Resistances of Multiphase Composites Containing Carbon Nanotubes and Inorganic Nanoparticles

  ORAL

  March 3, 2015, 11:27 AM – March 3, 2015, 11:39 AM

  Authors

  • Feng Gong

    • National University of Singapore

  • Dimitrios Papavassiliou

    • University of Oklahoma

  • Hai Duong

    • National University of Singapore

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• Computational Materials Design (CMD$^{\textregistered}$: Realization of the Switching Mechanism in RRAM

  ORAL

  March 3, 2015, 11:39 AM – March 3, 2015, 11:51 AM

  Authors

  • Hideaki Kasai

    • Graduate School of Engineering, Osaka University
    • Osaka University

  • Susan Aspera

    • Osaka University

  • Yukio Tamai

    • Sharp Corporation

  • Nobuyoshi Awaya

    • Sharp Corporation

  • Koukou Suu

    • ULVAC Inc.

  • Hiro Akinaga

    • National Institute of Advanced Industrial Science and Technology

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• High-throughput computational search for new high mobility transparent (semi)conducting oxides

  COFFEE_KLATCH · Invited

  March 3, 2015, 11:51 AM – March 3, 2015, 12:27 PM

  Authors

  • Geoffroy Hautier

    • Universite catholique de Louvain

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• Transparent Conductive Oxides as Near-IR Plasmonic Materials for Energy Conversion

  ORAL

  March 3, 2015, 12:27 PM – March 3, 2015, 12:39 PM

  Authors

  • Arrigo Calzolari

    • CNR-NANO-S3

  • Alice Ruini

    • University of Modena and Reggio Emilia, FIM dept \& S3 Center, Istituto Nanoscienze, I-41125, Modena, Italy
    • Universita' di Modena e Reggio Emilia

  • Alessandra Catellani

    • CNR-NANO-S3

  • Marco Buongiorno Nardelli

    • University of North Texas
    • Univ of North Texas

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• Engineering the bandgap of ferroelectric ZnSnO$_3$ via sulfur substitution

  ORAL

  March 3, 2015, 12:39 PM – March 3, 2015, 12:51 PM

  Authors

  • Brian Kolb

    • MIT

  • Alexie Kolpak

    • MIT
    • Massachusetts Institute of Technology, Cambridge MA 02139

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• p-type transparent conducting chalcogenides

  ORAL

  March 3, 2015, 12:51 PM – March 3, 2015, 1:03 PM

  Authors

  • Hongliang Shi

    • Oak Ridge National Lab

  • Bayrammurad Saparov

    • Oak Ridge National Lab

  • David Singh

    • Oak Ridge National Lab

  • Athena Sefat

    • Oak Ridge National Lab

  • Mao-Hua Du

    • Oak Ridge National Lab

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• Comparative first principles study for Li, Na, and Mg storage at rutile, anatase, bronze, and amorphous TiO2

  ORAL

  March 3, 2015, 1:03 PM – March 3, 2015, 1:15 PM

  Authors

  • Konstantinos Kotsis

    • National University of Singapore

  • Fleur Legrain

    • National University of Singapore

  • Sergei Manzhos

    • National University of Singapore

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• Probing for cationic dopants in lanthanum manganite for solid oxide fuel cell applications

  ORAL

  March 3, 2015, 1:15 PM – March 3, 2015, 1:27 PM

  Authors

  • Sridevi Krishnan

    • Institute of Materials Science, University of Connecticut, CT 06269, USA
    • Material Science and Engineering, Institute of Materials Science, University of Connecticut, Storrs

  • Vinit Sharma

    • Material Science and Engineering, Institute of Materials Science, University of Connecticut, Storrs

  • Manoj K Mahapatra

    • Material Science and Engineering, Center for Clean Energy Engineering, University of Connecticut, Storrs

  • Prabhakar Singh

    • Material Science and Engineering, Center for Clean Energy Engineering, University of Connecticut, Storrs

  • Rampi Ramprasad

    • Material Science and Engineering, Institute of Materials Science, University of Connecticut, Storrs

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• Designing brownmillerite SrCoO$_{2.5}$(BM-SCO) as a cathode material -- a first principles study of oxygen diffusion process in BM-SCO

  ORAL

  March 3, 2015, 1:27 PM – March 3, 2015, 1:39 PM

  Authors

  • Chandrima Mitra

    • Oak Ridge National Laboratory

  • Tricia Meyer

    • Oak Ridge National Laboratory

  • Ho Nyung Lee

    • Oak Ridge National Laboratory

  • Fernando Reboredo

    • Oak Ridge National Laboratory

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• A DFT study of oxygen reduction reaction on single-atom Pt nanocatalyst

  ORAL

  March 3, 2015, 1:39 PM – March 3, 2015, 1:51 PM

  Authors

  • Youngjoo Tak

    • Global E3 Institute, Department of Materials Science and Engineering, YonseiUniversity, Seoul 120-749, Korea

  • Norina A. Richter

    • Global E3 Institute, Department of Materials Science and Engineering, YonseiUniversity, Seoul 120-749, Korea

  • Aloysius Soon

    • Global E3 Institute and Department of Materials Science and Engineering, Yonsei University, Seoul 120-749, Korea
    • Global E3 Institute and the Department of Materials Science and Engineering, Yonsei University, Seoul 121-749, South Korea
    • Global E3 Institute, Department of Materials Science and Engineering, YonseiUniversity, Seoul 120-749, Korea
    • Department of Materials Science and Engineering, Yonsei University

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• Gold-doped graphene as a cost-effective, highly stable and active electrocatalyst for the oxygen reduction reaction: prediction from first principles

  ORAL

  March 3, 2015, 1:51 PM – March 3, 2015, 2:03 PM

  Authors

  • Sergey Stolbov

    • University of Central Florida

  • Marisol Alcantara Ortigoza

    • University of Central Florida

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• ABSTRACT WITHDRAWN

  March 3, 2015, 2:03 PM – March 3, 2015, 2:15 PM

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