Theoretical Modeling of Organohalide Perovskites for Photovoltaic Applications. ([2017])

• Record Type: Book
• Further Information: Note: Edited by Giacomo Giorgi, Koichi Yamashita.
• Editors: Giorgi, Giacomo, 1976-; (Professor of chemical engineering), Yamashita, Koichi
• 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.
• Publisher Details: Boca Raton, FL : CRC Press, Taylor & Francis Group
• Publication Date: 2017
• Copyright Date: 2017
• Extent: 1 online resource
• Subjects: 621.3815/420284; SCIENCE / Energy; Photovoltaic cells -- Materials; Solar cells -- Materials; Hybrid solar cells -- Materials; Perovskite; Molecular dynamics; TECHNOLOGY & ENGINEERING / Mechanical; SCIENCE / Solid State Physics; Electronic books
• Languages: English
• ISBNs: 9781351648462; 1351648462
• Related ISBNs: 9781498750783; 1498750788; 9781498750790; 1498750796
• Notes: Note: Includes bibliographical references and index.; Note: Print version record.
• Access Rights: Legal Deposit; Only available on premises controlled by the deposit library and to one user at any one time; The Legal Deposit Libraries (Non-Print Works) Regulations (UK).
• Access Usage: Restricted: Printing from this resource is governed by The Legal Deposit Libraries (Non-Print Works) Regulations (UK) and UK copyright law currently in force.