Concepedia

The performance of Li-modified B-doped phagraphene as a reversible hydrogen storage material in near-environmental conditions

Xin Bi, Feng Zhang, Wei Chen, Xin Huang, Gang Yan, Huaihong Zhao, Zhihong Yang, Yunhui Wang

Applied Surface Science · 2023 · 17 citations · 34 references

Concepts

Natural SciencesMaterials EngineeringMaterials ScienceEnergy MaterialsMaterials ChemistrySolid-state ChemistryBattery MaterialsElectrochemical Energy StorageEnergy StorageEnergy Storage MaterialsNanomaterials For Energy StorageNanostructured Energy MaterialsEnergy Storage ApplicationsHydrogen Energy StorageLithium-ion Battery Materials

References

34

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

Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set

Georg Kresse, J. Furthmüller · Physical review. B, Condensed matter · 1996 · 120.5K citations

Natural Sciences, Chemistry, Computational Chemistry +15

From ultrasoft pseudopotentials to the projector augmented-wave method

Georg Kresse, Daniel P. Joubert · Physical review. B, Condensed matter · 1999 · 83.6K citations

Natural Sciences, Chemistry, Physics +17

Hydrogen-storage materials for mobile applications

L. Schlapbach, Andreas Züttel · Nature · 2001 · 8.7K citations · Full text

Natural Sciences, Materials Engineering, Materials Science +12

DREIDING: a generic force field for molecular simulations

Stephen L. Mayo, Barry D. Olafson, William A. Goddard · The Journal of Physical Chemistry · 1990 · 6.5K citations

Natural Sciences, Chemistry, Physics +15