Concepedia

Multi-functional lead-free Ba2XSbO6 (X = Al, Ga) double perovskites with direct bandgaps for photocatalytic and thermoelectric applications: A first principles study

Mosayeb Naseri, Dennis R. Salahub, Shirin Amirian, Hatef Shahmohamadi, Mohammad Abdur Rashid, Mehrdad Faraji, Negin Fatahi

Materials Today Communications · 2023 · 47 citations · 57 references

DOI

Concepts

References

57

Generalized Gradient Approximation Made Simple

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

, , +16

Special points for Brillouin-zone integrations

Hendrik J. Monkhorst, J.D. Pack · Physical review. B, Solid state · 1976 · 70.3K citations

, , +6

Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction

Stefan Grimme · Journal of Computational Chemistry · 2006 · 30.8K citations

, , +17

First principles phonon calculations in materials science

Atsushi Togo, Isao Tanaka · Scripta Materialia · 2015 · 11.3K citations · Full text

, , +14

Sequential deposition as a route to high-performance perovskite-sensitized solar cells

Julian Burschka, Norman Pellet, Soo‐Jin Moon et al. · Nature · 2013 · 9.4K citations · Full text

, , +12