Concepedia

DFT Insight into Structural, Electronic, Optical and Thermoelectric Properties of Eco-Friendly Double Perovskites Rb2GeSnX6 (X = Cl, Br) for Green Energy Generation

Malak Azmat Ali, Asma A. Alothman, Mohammed Sheikh Saleh Mushab, Afzal Khan, Muhammad Faizan

Journal of Inorganic and Organometallic Polymers and Materials · 2023 · 147 citations · 50 references

Concepts

Natural SciencesMaterials SciencePhysicsCrystal StructureElectronic MaterialsMaterials ChemistryAb Initio MethodsCrystal EngineeringElectronic Band StructureOptical Properties Of SolidsPerovskite MaterialsThermoelectric MaterialsHalide PerovskitesOrganic-inorganic Hybrid PerovskitesPerovskite Crystal StructurePerovskite SemiconductorsThermoelectric Properties

References

50

Generalized Gradient Approximation Made Simple

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

Natural Sciences, Chemistry, Physics +16

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

Natural Sciences, Chemistry, Physics +17

The Compressibility of Media under Extreme Pressures

F. D. Murnaghan · Proceedings of the National Academy of Sciences · 1944 · 8.6K citations · Full text

Natural Sciences, Physics, Fluid Dynamics +10

Long-Range Balanced Electron- and Hole-Transport Lengths in Organic-Inorganic CH <sub>3</sub> NH <sub>3</sub> PbI <sub>3</sub>

Guichuan Xing, Nripan Mathews, Shuangyong Sun et al. · Science · 2013 · 6.8K citations · Full text

Natural Sciences, Materials Engineering, Materials Science +17

BoltzTraP. A code for calculating band-structure dependent quantities

Georg K. H. Madsen, David J. Singh · Computer Physics Communications · 2006 · 6K citations · Full text

Computing, Computational Engineering, Computational Electromagnetics +4