Concepedia

Study on mechanical, electronic and optical properties of Pb-free double halide perovskites In2TiX6 (X = Cl, Br, I) for solar cells based on first-principles

Xian‐Hao Zhao, Yan-Lin Tang, Tian‐Yu Tang, Xin-Feng Diao, Li-Ke Gao, Quan Xie, Bin Shi, Yuan Li, Limin Lu

Materials Today Communications · 2021 · 20 citations · 41 references

DOI

Concepts

References

41

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

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Soft self-consistent pseudopotentials in a generalized eigenvalue formalism

David Vanderbilt · Physical review. B, Condensed matter · 1990 · 22.9K citations

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Organometal Halide Perovskites as Visible-Light Sensitizers for Photovoltaic Cells

Akihiro Kojima, Kenjiro Teshima, Yasuo Shirai et al. · Journal of the American Chemical Society · 2009 · 22.6K citations

, , +17

First principles methods using CASTEP

Stewart J. Clark, Matthew Segall, Chris J. Pickard et al. · Zeitschrift für Kristallographie - Crystalline Materials · 2005 · 14.4K citations · Full text

, , +17

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces

John P. Perdew, Adrienn Ruzsinszky, Gábor I. Csonka et al. · Physical Review Letters · 2008 · 11.7K citations · Full text

, , +13