Concepedia

Electronic modulation and surface reconstruction on heterostructured CoP-Ni2P nanosheets with phosphate-rich surface for synergistically triggering oxygen evolution reaction

Fei Nie, Xueli Yin, Yihua Cao, Zhi Li, Xiaoping Dai, Weiyu Song, Yujie Liu, Yonghao Gan, Ying Ye, Run Cai,

Fuel · 2023 · 31 citations · 48 references

References

48

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

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

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

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

Natural Sciences, Chemistry, Physics +17

Effect of the damping function in dispersion corrected density functional theory

Stefan Grimme, Stephan Ehrlich, Lars Goerigk · Journal of Computational Chemistry · 2011 · 27.1K citations

Natural Sciences, Chemistry, Physics +10

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

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

Natural Sciences, Chemistry, Physics +14