Concepedia

Bi vacancy simultaneous manipulation of bulk adsorption and carrier utilization to replenish the mechanism of Cr(VI) photoreduction at universal pH

Yanfang Li, Kang Xu, Huilin Hu, Lixia Jia, Yizhong Zhang, Ciren Zhuoga, Pengli Yang, Xin Tan, Wanqian Guo, Weichang Hao,

Chemical Engineering Journal · 2022 · 31 citations · 54 references

DOI

Concepts

References

54

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

From ultrasoft pseudopotentials to the projector augmented-wave method

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

, , +17

<i>Ab initio</i>molecular dynamics for liquid metals

Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 44.9K citations

, , +17

<i>Ab initio</i>molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium

Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1994 · 22.7K citations

, , +17