Thursday, March 17, 2022
8:00AM - 8:12AM
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S10.00001: Li doping effects on the electronic conductivity of WTe2 for energy storage devices: An ab initio investigation
Aakash Kumar, Diana Y Qiu
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Thursday, March 17, 2022
8:12AM - 8:24AM
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S10.00002: First-principles study of intra- and inter-valley scattering in thermoelectric materials
Jesse Maassen, Vahid Askarpour
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Thursday, March 17, 2022
8:24AM - 8:36AM
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S10.00003: Predicting Trends in the Bond Structure and Electronic Properties of Mixed-Transition-Metal Strontium Oxide Perovskites
Francisco Marques dos Santos Vieira, Ismaila Dabo, Iurii Timrov, Matteo Cococcioni
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Thursday, March 17, 2022
8:36AM - 8:48AM
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S10.00004: Descriptors to identify asymmetric conduction bipolar materials with ultra-high thermoelectric power factors
Neophytos Neophytou, Patrizio Graziosi
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Thursday, March 17, 2022
8:48AM - 9:00AM
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S10.00005: Solid-liquid structure of Cu2S: Theoretical acanthite-like model for electronic and transport properties investigations.
Ho Ngoc Nam, Katsuhiro Suzuki, Tien Quang Nguyen, Akira Masago, Hikari Shinya, Tetsuya Fukushima, Kazunori Sato
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Thursday, March 17, 2022
9:00AM - 9:12AM
Withdrawn
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S10.00006: Microscopic mechanism of unusual lattice thermal transport in TlInTe2: Roles of anharmonic renormalization and wave-like tunneling of phonons
Koushik Pal, Yi Xia, Christopher M Wolverton
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Thursday, March 17, 2022
9:12AM - 9:24AM
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S10.00007: First-Principles Study of the Surface Properties of ZnO Anode Material in Rechargeable Zn/MnO2 Batteries
Nirajan Paudel, Birendra A Magar, Krishna Acharya, Timothy N Lambert, Igor Vasiliev
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Thursday, March 17, 2022
9:24AM - 9:36AM
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S10.00008: The interaction of lithium with a monolayer of graphene monoxide
Danylo Radevych, Marija Gajdardziska-Josifovska, Carol J Hirschmugl, Michael Weinert
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Thursday, March 17, 2022
9:36AM - 9:48AM
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S10.00009: Deep Learning Method to Accelerate Discovery of Effective Doping in Sr1-xRxFe1-yMyO3-δ Oxygen Carriers for Chemical Looping Air Separation
Ali Ramazani, Eric J Popczun, Sittichai Natesakhawat, Jonathan W Lekse, Yuhua Duan
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Thursday, March 17, 2022
9:48AM - 10:00AM
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S10.00010: Rashba Spin-Splitting and Anomalous Spin Textures in the Bulk Ferroelectric Oxide Perovskite KIO3
Sajjan Sheoran, Saswata Bhattacharya
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Thursday, March 17, 2022
10:00AM - 10:12AM
Withdrawn
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S10.00011: Estimation of the Binary Interaction Parameters of the aNRTL Model using Molecular Simulations
Rajasi Shukre, Rajesh Khare, Chau-Chyun Chen
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Thursday, March 17, 2022
10:12AM - 10:24AM
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S10.00012: Thermoelectric behaviour of CuFeS2 from DFT simulations
Vikram Vikram, Frances Towers-Tompkins, Sahil Tippireddy, Anthony V Powell, Umesh V Waghmare, Ricardo Grau-Crespo
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Thursday, March 17, 2022
10:24AM - 10:36AM
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S10.00013: Modeling Li Dendrite Formation in All-solid-state Lithium-ion Batteries
Zhuolin Xia, Dilip Gersappe
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Thursday, March 17, 2022
10:36AM - 10:48AM
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S10.00014: Novel Two dimensional MA2N4 (M=transition metal, A=Si, Ge) Materials for Renewable Energy Applications
Asha S Yadav
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Thursday, March 17, 2022
10:48AM - 11:00AM
Withdrawn
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S10.00015: Stability limits and Mechanical Behaviors of Methane Gas Hydrates for use in Greenhouse Gas Mitigation Technologies
Xiaodan Zhu, Alejandro Rey, Phillip Servio
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