Theoretical Modeling of Organohalide Perovskites for Photovoltaic Applications
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9781315152424

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Bulk Structural and Electronic Properties at the Density Functional Theory and Post-Density Functional Theory Level of Calculation

Theoretical Modeling of Organohalide Perovskites for Photovoltaic Applications ◽

10.4324/9781315152424-2 ◽

2017 ◽

pp. 43-86

Author(s):

Claudia Caddeo ◽

Alessandro Mattoni ◽

Alessio Filippetti ◽

Mao-Hua Du

Keyword(s):

Density Functional Theory ◽

Electronic Properties ◽

Density Functional ◽

Functional Theory ◽

Density Functional Theory Level ◽

The Density Functional Theory ◽

Structural And Electronic Properties

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Computational High-Throughput Screening for Solar Energy Materials

Theoretical Modeling of Organohalide Perovskites for Photovoltaic Applications ◽

10.4324/9781315152424-6 ◽

2017 ◽

pp. 183-200

Author(s):

Ivano E. Castelli ◽

Kristian S. Thygesen ◽

Karsten W. Jacobsen

Keyword(s):

Solar Energy ◽

High Throughput ◽

High Throughput Screening ◽

Energy Materials ◽

Solar Energy Materials

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Organic–Inorganic Halide Perovskite Quasi-Particle Nature Analysis via the Interplay among Classic Solid-State Concepts, Density Functional, and Many-Body Perturbation Theory

Theoretical Modeling of Organohalide Perovskites for Photovoltaic Applications ◽

10.4324/9781315152424-7 ◽

2017 ◽

pp. 201-224

Author(s):

Jacky Even ◽

Giacomo Giorgi ◽

Claudine Katan ◽

Hiroki Kawai ◽

Koichi Yamashita

Keyword(s):

Perturbation Theory ◽

Solid State ◽

Density Functional ◽

Many Body ◽

Quasi Particle ◽

Many Body Perturbation Theory ◽

Halide Perovskite ◽

Particle Nature

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Electric Properties of Organic–Inorganic Halide Perovskites and Their Role in the Working Principles of Perovskite-Based Solar Devices

Theoretical Modeling of Organohalide Perovskites for Photovoltaic Applications ◽

10.4324/9781315152424-3 ◽

2017 ◽

pp. 87-134

Author(s):

Claudio Quarti ◽

Domenico Di Sante ◽

Liang Z. Tan ◽

Edoardo Mosconi ◽

Giulia Grancini ◽

...

Keyword(s):

Electric Properties ◽

Halide Perovskites

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Structure and Thermodynamic Properties of Hybrid Perovskites by Classical Molecular Dynamics

Theoretical Modeling of Organohalide Perovskites for Photovoltaic Applications ◽

10.4324/9781315152424-1 ◽

2017 ◽

pp. 1-42

Author(s):

Alessandro Mattoni ◽

Alessio Filippetti ◽

Claudia Caddeo

Keyword(s):

Molecular Dynamics ◽

Thermodynamic Properties ◽

Classical Molecular Dynamics

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Atomic Structures and Electronic States at the Surfaces and Interfaces of CH3NH3PbI3 Perovskite

Theoretical Modeling of Organohalide Perovskites for Photovoltaic Applications ◽

10.4324/9781315152424-5 ◽

2017 ◽

pp. 165-182

Author(s):

Jun Haruyama ◽

Keitaro Sodeyama ◽

Yoshitaka Tateyama

Keyword(s):

Electronic States ◽

Atomic Structures ◽

Surfaces And Interfaces

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Alloys and Environmental Related Issues

Theoretical Modeling of Organohalide Perovskites for Photovoltaic Applications ◽

10.4324/9781315152424-4 ◽

2017 ◽

pp. 135-164

Author(s):

Fedwa El Mellouhi ◽

Fahhad H. Alharbi ◽

Carlo Motta ◽

Sergey Rashkeev ◽

Stefano Sanvito ◽

...

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