Concepedia

Significant hydrogen isotopes permeation resistance via nitride nano-multilayer coating

Lulu Hu, Wei Guo, Ran Yin, Mengqing Hong, Tao Cheng, Dongxun Zhang, Shuqin Zhao, Bing Yang, Guikai Zhang, Guangxu Cai,

International Journal of Hydrogen Energy · 2020 · 34 citations · 43 references

DOI

Concepts

References

43

Projector augmented-wave method

Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations

, , +17

From ultrasoft pseudopotentials to the projector augmented-wave method

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

, , +17

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

Georg Kresse, J. Furthmüller · Computational Materials Science · 1996 · 74.7K citations

, , +14

Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

John P. Perdew, J. A. Chevary, S. H. Vosko et al. · Physical review. B, Condensed matter · 1992 · 22K citations

, , +16

<i>Ab initio</i>molecular dynamics for open-shell transition metals

Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 8.2K citations

, , +14