Concepedia

Density functional theory study on the interaction of CO2 with Fe3O4(111) surface

Tongming Su, Zuzeng Qin, Guan Huang, Hongbing Ji, Yue-Xiu Jiang, Jianhua Chen

Applied Surface Science · 2016 · 63 citations · 27 references

DOI

Concepts

References

27

Iterative minimization techniques for<i>ab initio</i>total-energy calculations: molecular dynamics and conjugate gradients

M. C. Payne, M. P. Teter, D. C. Allan et al. · Reviews of Modern Physics · 1992 · 9.6K citations

, , +16

Dipole correction for surface supercell calculations

Lennart Bengtsson · Physical review. B, Condensed matter · 1999 · 2K citations

, , +15

The surface structure of Fe3O4(111) films as studied by CO adsorption

C. Lemire, Rüdiger R. Meyer, Victor E. Henrich et al. · Surface Science · 2004 · 170 citations

, , +14

Molecular Spectra and Molecular Structure

W. E. GARNER, J. E. LENNARD-JONES · Nature · 1929 · 163 citations

, , +14

Pu(V)O<sub>2</sub><sup>+</sup> Adsorption and Reduction by Synthetic Magnetite (Fe<sub>3</sub>O<sub>4</sub>)

Brian A. Powell, Robert A. Fjeld, Daniel I. Kaplan et al. · Environmental Science & Technology · 2004 · 136 citations

, , +17