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D63.00001: A Theoretical Study of Structure Property Relations in Photovoltaic Perovskites
Jordan Cowell, Nicholas C. Bristowe
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D63.00002: Improved Accuracy Tight Binding Model for Finite Temperature Electronic Structure Dynamics in Methyl Ammonium Lead Iodide (MAPbI3)
David Abramovitch, Liang Tan
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D63.00003: Materials Property Database for Hybrid Organic-Inorganic Perovskites and Application to Stability and Electronic Structure of (PEA)2PbI4
Xixi Qin, Xiaochen Du, Svenja Janke, Raul Laasner, Tianyang Li, Manoj Kumar Jana, Connor Clayton, Chi Liu, Sampreeti Bhattacharya, Juliana Mendes, Jun Hu, Dovletgeldi Seyitliyev, Ruyi Song, Matti Ropo, Franky So, Kenan Gundogdu, Wei You, Yosuke Kanai, David B. Mitzi, Volker Blum
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D63.00004: First-principles Study of Water Insertion Process on MAPbI3 Surface
Md. Abdullah Asad, Masaki Hada, Kyosuke Sato, Yoichi Hasegawa, Ryota Nagaoka, Ryuji Mishima, Takeshi Nishikawa, Yoshifumi Yamashita, Yasuhiko Hayashi, Kenji Tsuruta
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D63.00005: Theory of Layer Edge States in 2D Halide-Perovskites
Jisook Hong, David Prendergast, Liang Tan
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D63.00006: Calculating band gap distributions of halide perovskites with a first-principles tight-binding approach
Maximilian Schilcher, Matthew Z. Mayers, Liang Tan, David Reichman, David Alexander Egger
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D63.00007: Calculations on shallow defect levels in CsPbBr3
Jun Kang
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D63.00008: Structural and transport studies from air-stable hybrid perovskite thin films
Randy Burns, Siphelo Ngqoloda, Christopher Arendse, Theophillus Muller, Sorb Yesudhas, Deepak K Singh, Suchismita Guha
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D63.00009: Frenkel-Holstein Hamiltonian Applied to Quaterthiophene-based 2D Hybrid Organic-Inorganic Perovskites
Svenja Janke, Mohammad B. Qarai, Volker Blum, Frank Spano
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D63.00010: Tunable Electronic Structure of 2D Hybrid Organic-Inorganic Perovskites from a First Principles Approach
Invited Speaker:
Volker Blum
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D63.00011: Compounds with high macroscopically- averaged symmetries and low local symmetries: The consequence of lone-pair nematicity on electronic properties
Xingang Zhao, Zhi Wang, Alex Zunger
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D63.00012: Ligand Design Rules for Improving 2-D Organic-Inorganic Hybrid Halide Perovskite Moisture Stability
Stephen Shiring, Brett Savoie
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D63.00013: Interfacial Electromechanics Predict Phase Behavior of 2D Hybrid Halide Perovskites
Chris Price, Jean-Christophe Blancon, Aditya Mohite, Vivek Shenoy
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