Concepedia

Efficient electroreduction of CO2 to CO by Ag-decorated S-doped g-C3N4/CNT nanocomposites at industrial scale current density

JinXin Chen, Z. Wang, Hyungson Lee, Jianjun Mao, Craig A. Grimes, Chang Liu, M. Zhang, Zhouguang Lu, Yue Chen, Shien‐Ping Feng

Materials Today Physics · 2020 · 66 citations · 66 references

DOI

Concepts

References

66

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

, , +15

Projector augmented-wave method

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

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

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

, , +17

A fast and robust algorithm for Bader decomposition of charge density

Graeme Henkelman, Andri Arnaldsson, Hannes Jónsson · Computational Materials Science · 2005 · 10.4K citations

, , +6