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Frontispiece: Design Principles for the Atomic and Electronic Structure of Halide Perovskite Photovoltaic Materials: Insights from Computation
Author(s) -
Berger Robert F.
Publication year - 2018
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201883562
Subject(s) - halide , perovskite (structure) , photovoltaic system , electronic structure , computation , electronic band , band gap , variety (cybernetics) , materials science , nanotechnology , engineering physics , chemistry , computer science , optoelectronics , physics , computational chemistry , engineering , crystallography , inorganic chemistry , electrical engineering , algorithm , artificial intelligence
Halide perovskite materials have risen to prominence as light absorbers for photovoltaic applications. The composition and atomic structure of these compounds can be modified by a variety of routes, each of which affects the electronic properties including the band gap. In a review of the computational literature, a set of design principles is described for the rational tuning of the electronic structure of this class of materials. For more information, See the Minireview by R. F. Berger on page 8708 ff.