Concepedia

DFT aided prediction of phase stability, optoelectronic and thermoelectric properties of A2AuScX6 (A= Cs, Rb; X= Cl, Br, I) double perovskites for energy harvesting technology

Shafi Mahmud, M. A. Ali, M. M. Hossain, M. M. Uddin

Vacuum · 2023 · 82 citations · 82 references

Concepts

Materials ScienceElectrical EngineeringEnergy HarvestingDouble PerovskitesEnergy Harvesting TechnologyEngineeringPhase StabilityPerovskite Solar CellPerovskite ModuleApplied PhysicsCondensed Matter PhysicsHalide PerovskitesThermoelectric MaterialLead-free PerovskitesFunctional Materials

References

82

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 203.9K citations · Full text

Numerical Analysis, Engineering, Machine Learning +19

Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides

R. D. Shannon · Acta Crystallographica Section A · 1976 · 63.5K citations

Engineering, Computational Chemistry, Chemistry +16

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 · 22K citations

Materials Science, Semiconductors, Engineering +13

Detailed Balance Limit of Efficiency of<i>p-n</i>Junction Solar Cells

W. Shockley, H. J. Queisser · Journal of Applied Physics · 1961 · 12.6K citations

Commentary: The Materials Project: A materials genome approach to accelerating materials innovation

Anubhav Jain, Shyue Ping Ong, Geoffroy Hautier et al. · APL Materials · 2013 · 11.9K citations · Full text