Computational Modeling of Materials for Energy Applications II

ORAL · S10 · ID: 49863

Presentations

  • ORAL

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    Presenters

    • Francisco Marques dos Santos Vieira

      • Pennsylvania State University

    Authors

    • Francisco Marques dos Santos Vieira

      • Pennsylvania State University

    • Ismaila Dabo

      • Pennsylvania State University

    • Iurii Timrov

      • École Polytechnique Fédérale de Lausanne

    • Matteo Cococcioni

      • École Polytechnique Fédérale de Lausanne

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  • ORAL

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    Publication: Patrizio Graziosi and Neophytos Neophytou, "Ultra-High Thermoelectric Power Factors in Narrow Gap Materials with Asymmetric Bands" Journal of Physical Chemistry C, 124, 34, 18462–18473, 2020.
    Patrizio Graziosi and Neophytos Neophytou, "Bipolar conduction asymmetries lead to high thermoelectric power factor" To be submitted in Appl. Physics Lett., 2021.

    Presenters

    • Neophytos Neophytou

      • Univ of Warwick

    Authors

    • Neophytos Neophytou

      • Univ of Warwick

    • Patrizio Graziosi

      • CNR Bologna

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  • ORAL

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    Publication: H. Ngoc Nam, K. Suzuki, T. Q. Nguyen, A. Masago, H. Shinya, T. Fukushima, and K. Sato, arXiv:2110.09117.

    Presenters

    • Ngoc Nam Ho

      • Osaka University
      • Division of Materials and Manufacturing Science, Osaka University

    Authors

    • Ngoc Nam Ho

      • Osaka University
      • Division of Materials and Manufacturing Science, Osaka University

    • Katsuhiro Suzuki

      • Osaka Univ.
      • Osaka University
      • Division of Materials and Manufacturing Science, Osaka University

    • Tien Quang Nguyen

      • Osaka University
      • Division of Materials and Manufacturing Science, Osaka University

    • Akira Masago

      • Osaka University
      • Center for Spintronics Research Network, Osaka University

    • Hikari Shinya

      • Tohoku University
      • Research Institute of Electrical Communication, Tohoku University

    • Tetsuya Fukushima

      • The University of Tokyo
      • Institute of Solid State Physics, The University of Tokyo

    • Kazunori Sato

      • Osaka Univ.
      • Osaka University
      • Division of Materials and Manufacturing Science, Osaka University
      • Osaka University, CSRN-Osaka

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  • ORAL

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    Publication: Microscopic mechanism of unusual lattice thermal transport in TlInTe2, Koushik Pal, Yi Xia, and Chris Wolverton, npj Computational Materials 7, 5 (2021).

    Presenters

    • Koushik Pal

      • Northwestern University

    Authors

    • Koushik Pal

      • Northwestern University

    • Yi Xia

      • Northwestern University

    • Christopher M Wolverton

      • Northwestern University

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  • ORAL

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    Presenters

    • Nirajan Paudel

      • New Mexico State University
      • Department of Physics, New Mexico State University, Las Cruces, New Mexico 88003

    Authors

    • Nirajan Paudel

      • New Mexico State University
      • Department of Physics, New Mexico State University, Las Cruces, New Mexico 88003

    • Birendra A Magar

      • New Mexico State University
      • Department of Physics, New Mexico State University, Las Cruces, New Mexico 88003

    • Krishna Acharya

      • New Mexico State University

    • Timothy N Lambert

      • Sandia National Laboratories
      • Department of Materials, Devices, and Energy Technologies, Sandia National Laboratories, Albuquerque, New Mexico 87185

    • Igor Vasiliev

      • New Mexico State University
      • Department of Physics, New Mexico State University, Las Cruces, New Mexico 88003

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  • ORAL

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    Publication: Danylo Radevych, Marija Gajdardziska-Josifovska, Carol J. Hirschmugl, and Michael Weinert
    The Journal of Physical Chemistry C 2021 125 (22), 11820-11827
    DOI: 10.1021/acs.jpcc.1c01069

    Presenters

    • Danylo Radevych

      • University of Wisconsin - Milwaukee, COnovate Inc.

    Authors

    • Danylo Radevych

      • University of Wisconsin - Milwaukee, COnovate Inc.

    • Marija Gajdardziska-Josifovska

      • University of Wisconsin - Milwaukee, COnovate Inc.

    • Carol J Hirschmugl

      • COnovate Inc.

    • Michael Weinert

      • University of Wisconsin - Milwaukee
      • Department of Physics, University of Wisconsin, Milwaukee, Wisconsin 53211, United States

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  • ORAL

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    Presenters

    • Ali Ramazani

      • National Energy Technology Laboratory, 626 Cochrans Mill Road, P.O. Box 10940, Pittsburgh, PA 15236-0940, USA

    Authors

    • Ali Ramazani

      • National Energy Technology Laboratory, 626 Cochrans Mill Road, P.O. Box 10940, Pittsburgh, PA 15236-0940, USA

    • Eric J Popczun

      • National Energy Technology Laboratory, 626 Cochrans Mill Road, P.O. Box 10940, Pittsburgh, PA 15236-0940, USA

    • Sittichai Natesakhawat

      • National Energy Technology Laboratory, 626 Cochrans Mill Road, P.O. Box 10940, Pittsburgh, PA 15236-0940, USA

    • Jonathan W Lekse

      • National Energy Technology Laboratory, 626 Cochrans Mill Road, P.O. Box 10940, Pittsburgh, PA 15236-0940, USA

    • Yuhua Duan

      • Natl Energy Technology Lab
      • National Energy Technology Laboratory, 626 Cochrans Mill Road, P.O. Box 10940, Pittsburgh, PA 15236-0940, USA
      • National Energy Technology Laboratory, US DOE

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  • ORAL

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    Publication: Rajasi Shukre, Rajesh Khare, Chau-Chyun Chen, "Estimation of the Binary Interaction Parameters of the aNRTL Model using Molecular Simulations" (Manuscript in preparation)

    Presenters

    • Rajasi Shukre

      • Texas Tech University

    Authors

    • Rajasi Shukre

      • Texas Tech University

    • Rajesh Khare

      • Texas Tech Univ

    • Chau-Chyun Chen

      • Texas Tech University

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  • ORAL

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    Presenters

    • Vikram Vikram

      • Department of Chemistry, University of Reading, UK

    Authors

    • Vikram Vikram

      • Department of Chemistry, University of Reading, UK

    • Frances Towers-Tompkins

      • Department of Chemistry, University of Reading, UK

    • Sahil Tippireddy

      • Department of Chemistry, University of Reading, UK

    • Anthony V Powell

      • Department of Chemistry, University of Reading, UK

    • Umesh V Waghmare

      • Theoretical Sciences Unit, Jawaharlal Nehru Centre for Advanced Scientific Research
      • Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore
      • Jawaharlal Nehru Centre for Advanced Scientific Research, India

    • Ricardo Grau-Crespo

      • Department of Chemistry, University of Reading
      • Department of Chemistry, University of Reading, UK

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  • ORAL

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    Publication: Novel Two-Dimensional MA2N4 Materials for Photovoltaic and Spintronic Applications
    Asha Yadav, Jiban Kangsabanik, Nirpendra Singh, and Aftab Alam
    The Journal of Physical Chemistry Letters 2021 12 (41), 10120-10127
    DOI: 10.1021/acs.jpclett.1c02650

    Presenters

    • Asha S Yadav

      • Indian Institute of Technology Bombay

    Authors

    • Asha S Yadav

      • Indian Institute of Technology Bombay

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