First-Principles Molecular Dynamics in Metal-Halide Perovskites: Contrasting Generalized Gradient Approximation and Hybrid Functionals
Journal Article
·
· Journal of Physical Chemistry Letters
- Computational Laboratory for Hybrid/Organic Photovoltaics (CLHYO), Istituto CNR di Scienze e Tecnologie Chimiche “Giulio Natta” (CNR-SCITEC), Via Elce di Sotto 8, 06123 Perugia, Italy
- Department of Biomedical Engineering, Northwestern University, Evanston, Illinois 60208, United States
- Chemistry Department, College of Science, King Saud University, Riyadh 11451, Kingdom of Saudi Arabia
- Computational Laboratory for Hybrid/Organic Photovoltaics (CLHYO), Istituto CNR di Scienze e Tecnologie Chimiche “Giulio Natta” (CNR-SCITEC), Via Elce di Sotto 8, 06123 Perugia, Italy; Chemistry Department, College of Science, King Saud University, Riyadh 11451, Kingdom of Saudi Arabia
- Materials and Process Simulation Center, California Institute of Technology, Pasadena, California 91125, United States
- Computational Laboratory for Hybrid/Organic Photovoltaics (CLHYO), Istituto CNR di Scienze e Tecnologie Chimiche “Giulio Natta” (CNR-SCITEC), Via Elce di Sotto 8, 06123 Perugia, Italy; Department of Chemistry, Biology and Biotechnology, University of Perugia, Via Elce di Sotto 8, 06123 Perugia, Italy; CompuNet, Istituto Italiano di Tecnologia, Genova 16163, Italy
Not provided.
- Research Organization:
- California Institute of Technology (CalTech), Pasadena, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC)
- DOE Contract Number:
- SC0021266
- OSTI ID:
- 1978090
- Journal Information:
- Journal of Physical Chemistry Letters, Vol. 12, Issue 49; ISSN 1948-7185
- Publisher:
- American Chemical Society
- Country of Publication:
- United States
- Language:
- English
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