Efficient Modeling Workflow for Accurate Electronic Structures of Hybrid Perovskites-Reference-Cited by-同舟云学术

Efficient Modeling Workflow for Accurate Electronic Structures of Hybrid Perovskites

Published:2021-08-18 Issue:34 Volume:125 Page:18597-18603
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Gebhardt Julian¹²^ORCID,Wei Wei²,Elsässer Christian¹²³

Affiliation:

1. Fraunhofer Institute for Mechanics of Materials IWM, Wöhlerstraße 11, 79108 Freiburg, Germany

2. Cluster of Excellence livMatS at FIT—Freiburg Center for Interactive Materials and Bioinspired Technologies, Albert-Ludwigs-University Freiburg, Georges-Köhler-Allee 105, 79110 Freiburg, Germany

3. Freiburg Materials Research Center (FMF), Albert-Ludwigs-University Freiburg, Stefan-Meier-Straße 21, 79104 Freiburg, Germany

Funder

Deutsche Forschungsgemeinschaft

Fraunhofer-Gesellschaft

Ministerium fÃ¼r Wissenschaft, Forschung und Kunst Baden-WÃ¼rttemberg

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.1c04817

Reference60 articles.

1. Predicted Lead-Free Perovskites for Solar Cells

2. Computational Study of Halide Perovskite-Derived A2BX6 Inorganic Compounds: Chemical Trends in Electronic Structure and Structural Stability

3. Bandgap calculations and trends of organometal halide perovskites

4. Rational Design: A High-Throughput Computational Screening and Experimental Validation Methodology for Lead-Free and Emergent Hybrid Perovskites

5. Computational Screening of Homovalent Lead Substitution in Organic–Inorganic Halide Perovskites

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