Modeling and Simulation of 2D Materials and Devices
ORAL · Z60 · ID: 49856
Presentations
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An ab initio investigation of groups III-V monochalcogenides
ORAL
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Presenters
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Mateus Bazan Peters Querne
University of Delaware
Authors
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Mateus Bazan Peters Querne
University of Delaware
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Jean M Bracht
Federal University of Sao Carlos
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Juarez Lopes Ferreira Da Silva
University of Sao Paulo
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Anderson Janotti
University of Delaware, Department of Materials Science & Engineering, University of Delaware
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Matheus Paes Lima
Federal University of Sao Carlos
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Stability of layered In<sub>2</sub>Se<sub>3</sub> phases from Diffusion Quantum Monte Carlo calculations
ORAL
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Presenters
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Igor D Evangelista
University of Delaware
Authors
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Igor D Evangelista
University of Delaware
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Anderson Janotti
University of Delaware, Department of Materials Science & Engineering, University of Delaware
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Anouar Benali
Computational Science Division, Argonne National Laboratory, Computational Science Division, Argonne National Laboratory, Argonne, IL, United States, Argonne National Labratory, Argonne National Laboratory
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Degenerate excitons in strongly spin-orbit coupled heterolayers
ORAL
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Presenters
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Jiawei Ruan
University of California at Berkeley, and Lawrence Berkeley National Laboratory
Authors
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Jiawei Ruan
University of California at Berkeley, and Lawrence Berkeley National Laboratory
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Zhenglu Li
University of California at Berkeley, and Lawrence Berkeley National Laboratory, Physics Department, UC Berkeley and Lawrence Berkeley National Lab, Lawrence Berkeley National Laboratory, Lawrence Berkeley National Laboratory; University of California at Berkeley, University of California at Berkeley and Lawrence Berkeley National Laboratory
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Chin Shen Ong
University of California at Berkeley, and Lawrence Berkeley National Laboratory, University of California, Berkeley, Department of Physics and Astronomy, Uppsala University
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Steven G Louie
University of California at Berkeley, and Lawrence Berkeley National Laboratory, Physics Department, UC Berkeley and Lawrence Berkeley National Lab, University of California Berkeley, University of California, Berkeley, University of California at Berkeley; Lawrence Berkeley National Laboratory, University of California at Berkeley and Lawrence Berkeley National Laboratory, UC berkeley, University of California at Berkeley and Lawrence Berkeley National Lab, UC Berkeley & Lawrence Berkeley National Laboratory
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Ab initio calculations of exciton-phonon coupling in semiconducting systems
ORAL
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Presenters
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Jacopo Simoni
Lawrence Berkeley National Laboratory
Authors
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Jacopo Simoni
Lawrence Berkeley National Laboratory
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Liang Tan
Lawrence Berkeley National Laboratory
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Vsevolod M Ivanov
Lawrence Berkeley National Lab, Lawrence Berkeley National Laboratory
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BiAs as a novel 2D material
ORAL
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Presenters
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Muhammad Zubair
University of Delaware
Authors
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Muhammad Zubair
University of Delaware
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Shaoib Khalid
University of Delaware
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Anderson Janotti
University of Delaware, Department of Materials Science & Engineering, University of Delaware
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First-principles calculation of the non-equilibrium quasi-Fermi levels in defective WSe<sub>2</sub> p-n junctions
ORAL
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Presenters
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Tae Hyung Kim
Korea Advanced Institute of Science and Technology, Korea Adv Inst of Sci & Tech
Authors
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Tae Hyung Kim
Korea Advanced Institute of Science and Technology, Korea Adv Inst of Sci & Tech
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Juho Lee
Korea Advanced Institute of Science and Technology
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Yong-Hoon Kim
Korea Advanced Institute of Science and Technology
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Hydrogen Evolution Reaction on BP Monolayer and MoS<sub>2</sub>/BP van der Waals Heterostructure from First-principles
ORAL
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Presenters
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Arunima Singh
Indian Institute of Technology Delhi
Authors
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Arunima Singh
Indian Institute of Technology Delhi
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Saswata Bhattachara
Indian Institute of Technology Delhi, Indian Institute of Technology Delhi, New Delhi, Indian Institute of Techknowlogy, Delhi, India
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Extraordinary thermal conductivity of gold sulfide monolayers
ORAL
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Publication: Armin Taheri, Simone Pisana, and Chandra Veer Singh."Extraordinary thermal conductivity of gold sulfide monolayers ", In preparation, 2021.
Presenters
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Armin Taheri
Postdoctoral fellow at ECE department of York University, Postdoctoral Fellow, ECE department, York University
Authors
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Armin Taheri
Postdoctoral fellow at ECE department of York University, Postdoctoral Fellow, ECE department, York University
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Simone Pisana
Associate Professor Department of Electrical Engineering & Computer Science Lassonde School of Engineering York University, York Univ, Associate Professor, Department of Electrical Engineering & Computer Science Lassonde School of Engineering York University
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Chandra Veer Singh
Associate Professor, Associate Chair, Department of Materials Science & Engineering, Associate Professor, Associate Chair, Department of Materials Science & Engineering, University of Toronto
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Intervalley excitonic hybridization, optical selection rules, and imperfect circular dichroism in monolayer hBN
ORAL
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Presenters
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Fang Zhang
University of Macau, University of California at Berkeley, Lawrence Berkeley National Laboratory , and Southern University of Science and Technology
Authors
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Fang Zhang
University of Macau, University of California at Berkeley, Lawrence Berkeley National Laboratory , and Southern University of Science and Technology
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Chin Shen Ong
University of California at Berkeley, and Lawrence Berkeley National Laboratory, University of California, Berkeley, Department of Physics and Astronomy, Uppsala University
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Jiawei Ruan
University of California at Berkeley, and Lawrence Berkeley National Laboratory
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Meng Wu
University of California at Berkeley, and Lawrence Berkeley National Laboratory, University of California, Berkeley
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Xingqiang Shi
Southern University of Science and Technology
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Zikang Tang
University of Macau
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Steven G Louie
University of California at Berkeley, and Lawrence Berkeley National Laboratory, Physics Department, UC Berkeley and Lawrence Berkeley National Lab, University of California Berkeley, University of California, Berkeley, University of California at Berkeley; Lawrence Berkeley National Laboratory, University of California at Berkeley and Lawrence Berkeley National Laboratory, UC berkeley, University of California at Berkeley and Lawrence Berkeley National Lab, UC Berkeley & Lawrence Berkeley National Laboratory
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Intercalation of Lithium inside Bilayer Buckled Borophene: A First-Principles Prospective
ORAL
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Presenters
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Sheeza Aslam
University of Gujrat, Hafiz Hayat Campus
Authors
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Sheeza Aslam
University of Gujrat, Hafiz Hayat Campus
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A new material for Lithium and Sodium ion batteries: monolayer BPt<sub>2</sub>
ORAL
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Presenters
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Yelda Kadioglu
Adnan Menderes University, University of Maryland, Baltimore County - Adnan Menderes University
Authors
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Yelda Kadioglu
Adnan Menderes University, University of Maryland, Baltimore County - Adnan Menderes University
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Can Ataca
University of Maryland, Baltimore County
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Quantum capacitance of vertical tunnel field-effect transistors: A first-principles study
ORAL
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Presenters
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Ryong Gyu Lee
Korea Advanced Institute of Science and Technology
Authors
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Ryong Gyu Lee
Korea Advanced Institute of Science and Technology
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Juho Lee
Korea Advanced Institute of Science and Technology
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Tae Hyung Kim
Korea Advanced Institute of Science and Technology, Korea Adv Inst of Sci & Tech
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Yong-Hoon Kim
Korea Advanced Institute of Science and Technology
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Spatial mapping of disordered 2D systems: the conductance Sudoku
ORAL
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Publication: 1) https://arxiv.org/abs/2108.10114<br>2) New J. Phys. 23 073035<br>3) Phys. Rev. B 102, 075409
Presenters
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Shardul Mukim
Trinity College Dublin
Authors
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Shardul Mukim
Trinity College Dublin
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Mauro S Ferreira
Trinity College Dublin
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Direct and converse flexoelectricity in two-dimensional materials
ORAL
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Publication: M. Springolo, M. Royo and M. Stengel, Physical Review Letters (in press), https://arxiv.org/abs/2010.08470
Presenters
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Matteo Springolo
ICMAB-CSIC
Authors
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Massimiliano Stengel
ICREA-Inst Catalana de Recerca i Estudis, Autonomous University of Barcelona, ICMAB-CSIC
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Miquel Royo
ICMAB-CSIC, Institut de Ciència de Materials de Barcelona (ICMAB-CSIC), Campus UAB, 08193 Bellaterra, Spain
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Matteo Springolo
ICMAB-CSIC
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