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Theoretical Modeling of Organohalide Perovskites for Photovoltaic Applications / edited by Giacomo Giorgi, Koichi Yamashita.

Contributor(s): Giorgi, Giacomo, 1976- [editor.] | Yamashita, Koichi (Professor of chemical engineering) [editor.].
Material type: materialTypeLabelBookPublisher: Boca Raton, FL : CRC Press, Taylor & Francis Group, [2017]Copyright date: ©2017Description: 1 online resource.Content type: text Media type: computer Carrier type: online resourceISBN: 9781315152424; 9781351638920.Subject(s): Photovoltaic cells -- Materials | Solar cells -- Materials | Hybrid solar cells -- Materials | Perovskite | Molecular dynamicsAdditional physical formats: Print version: : No titleDDC classification: 621.3815420284 Online resources: Click here to view.
Contents:
Structure and thermodynamic properties of hybrid perovskites by classical molecular dynamics / Alessandro Mattoni, Alessio Filippetti, Claudia Caddeo -- Intrinsic electronic, optical, and recombination properties described by the Density Functional Theory calculations / Claudia Caddeo, Alessandro Mattoni, and Alessio Filippetti -- Hybrid organic-inorganic halide perovskites: electronic structure, dielectric properties, native defects, and the role of ns2 ions / Mao-Hua Du -- Extremely slow changes in photoluminescence and Raman in organohalide hybrid perovskites: a first principle investigation / Claudio Quarti, Edoardo Mosconi, Giulia Grancini, Filippo De Angelis -- Ferroelectricity and spin-orbit coupling in organic-inorganic perovskite halides / Domenico Di Sante, Alessandro Stroppa, Liang Z. Tan, Paolo Barone, Andrew M. Rappe, Silvia Picozzi -- Alloys and environmental related issues: towards the computational design of Pb-free and stable hybrid materials for solar cells / Fedwa El Mellouhi, Fahhad H. Alharbi, Carlo Motta, Sergey Rashkeev, Stefano Sanvito, Sabre Kais -- Atomic structures and electronic states at the surfaces and interfaces of CH3NH3PbI3 perovskite / Jun Haruyama, Keitaro Sodeyama, Yoshitaka Tateyama -- Computational high-throughput screening for solar energy materials / Ivano E. Castelli, Kristian S. Thygesen, Karsten W. Jacobsen -- Organic-inorganic halide perovskite quasi-particles nature analysis via the interplay among classic solid state concepts, density functional, and many body perturbation theory / J. Even, G. Giorgi, C. Katan, H. Kawai, K. Yamashita.
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Structure and thermodynamic properties of hybrid perovskites by classical molecular dynamics / Alessandro Mattoni, Alessio Filippetti, Claudia Caddeo -- Intrinsic electronic, optical, and recombination properties described by the Density Functional Theory calculations / Claudia Caddeo, Alessandro Mattoni, and Alessio Filippetti -- Hybrid organic-inorganic halide perovskites: electronic structure, dielectric properties, native defects, and the role of ns2 ions / Mao-Hua Du -- Extremely slow changes in photoluminescence and Raman in organohalide hybrid perovskites: a first principle investigation / Claudio Quarti, Edoardo Mosconi, Giulia Grancini, Filippo De Angelis -- Ferroelectricity and spin-orbit coupling in organic-inorganic perovskite halides / Domenico Di Sante, Alessandro Stroppa, Liang Z. Tan, Paolo Barone, Andrew M. Rappe, Silvia Picozzi -- Alloys and environmental related issues: towards the computational design of Pb-free and stable hybrid materials for solar cells / Fedwa El Mellouhi, Fahhad H. Alharbi, Carlo Motta, Sergey Rashkeev, Stefano Sanvito, Sabre Kais -- Atomic structures and electronic states at the surfaces and interfaces of CH3NH3PbI3 perovskite / Jun Haruyama, Keitaro Sodeyama, Yoshitaka Tateyama -- Computational high-throughput screening for solar energy materials / Ivano E. Castelli, Kristian S. Thygesen, Karsten W. Jacobsen -- Organic-inorganic halide perovskite quasi-particles nature analysis via the interplay among classic solid state concepts, density functional, and many body perturbation theory / J. Even, G. Giorgi, C. Katan, H. Kawai, K. Yamashita.

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