Density Functional Theory Simulations of Semiconductors for Photovoltaic Applications: Hybrid Organic-Inorganic Perovskites and IIIV Heterostructures
Joint Authors
Even, J.
Tea, Eric
Almosni, Samy
Rolland, Alain
Robert, Cédric
Jancu, Jean-Marc
Cornet, Charles
Katan, Claudine
Guillemoles, Jean-François
Durand, Olivier
Pedesseau, L.
Source
International Journal of Photoenergy
Issue
Vol. 2014, Issue 2014 (31 Dec. 2014), pp.1-11, 11 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2014-06-02
Country of Publication
Egypt
No. of Pages
11
Main Subjects
Abstract EN
Potentialities of density functional theory (DFT) based methodologies are explored for photovoltaic materials through the modeling of the structural and optoelectronic properties of semiconductor hybrid organic-inorganic perovskites and GaAs/GaP heterostructures.
They show how the properties of these bulk materials, as well as atomistic relaxations, interfaces, and electronic band-lineups in small heterostructures, can be thoroughly investigated.
Some limitations of available standard DFT codes are discussed.
Recent improvements able to treat many-body effects or based on density-functional perturbation theory are also reviewed in the context of issues relevant to photovoltaic technologies.
American Psychological Association (APA)
Even, J.& Pedesseau, L.& Tea, Eric& Almosni, Samy& Rolland, Alain& Robert, Cédric…[et al.]. 2014. Density Functional Theory Simulations of Semiconductors for Photovoltaic Applications: Hybrid Organic-Inorganic Perovskites and IIIV Heterostructures. International Journal of Photoenergy،Vol. 2014, no. 2014, pp.1-11.
https://search.emarefa.net/detail/BIM-1037271
Modern Language Association (MLA)
Even, J.…[et al.]. Density Functional Theory Simulations of Semiconductors for Photovoltaic Applications: Hybrid Organic-Inorganic Perovskites and IIIV Heterostructures. International Journal of Photoenergy No. 2014 (2014), pp.1-11.
https://search.emarefa.net/detail/BIM-1037271
American Medical Association (AMA)
Even, J.& Pedesseau, L.& Tea, Eric& Almosni, Samy& Rolland, Alain& Robert, Cédric…[et al.]. Density Functional Theory Simulations of Semiconductors for Photovoltaic Applications: Hybrid Organic-Inorganic Perovskites and IIIV Heterostructures. International Journal of Photoenergy. 2014. Vol. 2014, no. 2014, pp.1-11.
https://search.emarefa.net/detail/BIM-1037271
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1037271