Characterisation and Novel Phenomena II
ORAL · MAR-Q42 · ID: 3110313
Presentations
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Angle-resolved photoemission of CsPbBr3
ORAL
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Presenters
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Oliver Rader
Helmholtz-Zentrum Berlin
Authors
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Oliver Rader
Helmholtz-Zentrum Berlin
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Maryam Sajedi
Helmholtz-Zentrum Berlin
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Maxim Krivenkov
Helmholtz-Zentrum Berlin
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Dmitry Marchenko
Helmholtz-Zentrum Berlin
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Saleem Ayas Khan
University of West Bohemia
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Andrei Varykhalov
Helmholtz-Zentrum Berlin
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Jaime Sánchez-Barriga
Helmholtz-Zentrum Berlin
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Daniel M Többens
Helmholtz-Zentrum Berlin
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Thomas Unold
Helmholtz-Zentrum Berlin
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Ján Minár
New Technologies-Research Center University of West Bohemia, 30614 Pilzen, Czech Republic, University of West Bohemia
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Surface properties of metal halide perovskites from density functional theory and neural network potentials
ORAL
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Presenters
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Mengen Wang
SUNY Binghamton University, SUNY Binghamton
Authors
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Mengen Wang
SUNY Binghamton University, SUNY Binghamton
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Kejia Li
SUNY Binghamton
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Understanding Local Structure in Halide Perovskites: Linking Theory and Experiment
ORAL
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Publication: [1] M. Zacharias, F. Giustino, Phys. Rev. Research 2, 013357 (2020), Phys. Rev. B 94, 075125 (2016)<br>[2] M. Zacharias, G. Volonakis, F. Giustino, J. Even, Phys. Rev. B 108, 035155 (2023)<br>[3] M. Zacharias, G. Volonakis, F. Giustino, J. Even npj Comput. Mater. 9, 153 (2023)<br>[4] A. Balvanz, M. Safdari, M. Zacharias, D. Kim, E. Oriel, M. Kepenekian, C. Katan, C. D. Millakas, J. Even, V. Klepov, R. D. Schaller, L. X. Chen, R. Seshadri, M. G. Kanatzidis, J. Am. Chem. Soc. 146, 23 (2024)<br>[5] S. Biswas, R. Zhao, F. Alowa, M. Zacharias , S. Sharifzadeh, D. F Coker, D. S Seferos, G. D Scholes, Nat. Mater. 23, 937 (2024)<br>[6] D. N. Dirin, A. Vivani, M. Zacharias , R. V Sekh, I. Cherniukh, L. Pedesseau, J. Even, M. V Kovalenko, M. I. Bodnarchuk, et al., Nano Lett ers 23, 5, 1914 (2023)<br>[7] M. Baranowski, A. Nowok, K. Galkowski, M. Dyksik, A. Surrente, D. Maude, M. Zacharias, G. Volonakis, S., D Stranks, J. Even, M. Maczka, R. Nicholas, P. Plochocka, ACS Energy Letters , 9, 2696, (2024)
Presenters
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Marios Zacharias
Univ Rennes, INSA Rennes, CNRS, Institut FOTON - UMR 6082, F-35000 Rennes, France, University Rennes I
Authors
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Marios Zacharias
Univ Rennes, INSA Rennes, CNRS, Institut FOTON - UMR 6082, F-35000 Rennes, France, University Rennes I
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George Volonakis
Univ Rennes, ENSCR, INSA Rennes, CNRS, ISCR - UMR 6226, F-35000 Rennes, France
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Jacky Even
INSA Rennes FOTON CNRS
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Feliciano Giustino
University of Texas at Austin
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Mikael Kepenekian
Univ Rennes, ENSCR, INSA Rennes, CNRS, ISCR - UMR 6226, F-35000 Rennes, France, Universite de Rennes
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Claudine Katan
University Rennes I
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Probing the effective masses of halide perovskites at finite temperatures with first-principles calculations
ORAL
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Presenters
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BaiQing Zhao
University of California, Santa Barbara
Authors
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BaiQing Zhao
University of California, Santa Barbara
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Xie Zhang
Beijing Computational Science Res Ctr
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Chris G Van de Walle
University of California, Santa Barbara, Materials Department, University of California, Santa Barbara, CA 93106-5050, U.S.A.
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Non-Adiabatic Dynamics Reveals Carrier Separation at Grain-boundaries in CsPbBr<sub>3</sub> Perovskite
ORAL
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Presenters
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Andrew Grieder
University of Wisconsin - Madison
Authors
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Andrew Grieder
University of Wisconsin - Madison
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Marcos Calegari Andrade
Lawrence Livermore National Laboratory, University of California, Santa Cruz
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Hiroyuki Takenaka
University of California, Santa Cruz
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Tadashi Ogitsu
Lawrence Livermore National Laboratory
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Liang Z Tan
Lawrence Berkeley National Laboratory
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Yuan Ping
University of Wisconsin - Madison
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Abstract Withdrawn
ORAL Withdrawn
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Defect formation in CsSnI<sub>3</sub> from DFT and machine learning methods
ORAL
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Presenters
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Chadawan Khamdang
State University of New York at Binghamton
Authors
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Chadawan Khamdang
State University of New York at Binghamton
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Mengen Wang
State University of New York at Binghamton
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