Concepedia

DFT studies of adsorption properties and bond strengths of H2S, HCN and NH3 on Fe(1 0 0)

Lu Ren, Yanhai Cheng, Rui Shao, Xianliang Meng, Jinyong Yang, Qingqing Wang

Applied Surface Science · 2019 · 59 citations · 42 references

DOI

Concepts

References

42

Projector augmented-wave method

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

, , +17

Special points for Brillouin-zone integrations

Hendrik J. Monkhorst, J.D. Pack · Physical review. B, Solid state · 1976 · 70.3K citations

, , +6

Soft self-consistent pseudopotentials in a generalized eigenvalue formalism

David Vanderbilt · Physical review. B, Condensed matter · 1990 · 22.9K citations

, , +13

Introduction to Solid State Physics

C. Kittel, Heng Fan · American Journal of Physics · 1957 · 22.4K citations

, , +13

Introduction to solid state physics

Journal of the Franklin Institute · 1956 · 7.2K citations

, , +13