Concepedia

Effect of elemental doping on the catalytic activity of ABO3 perovskite oxides during low-pressure gas nitriding

Chengsong Zhang, Yun Wang, Dazhi Chen, Yeqiong Wu, Guodong Cui, Yang Yang, Yixue Wang, Yunxia Chen

Applied Surface Science · 2020 · 17 citations · 50 references

DOI

Concepts

References

50

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

, , +16

Soft self-consistent pseudopotentials in a generalized eigenvalue formalism

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

, , +13

First-principles simulation: ideas, illustrations and the CASTEP code

Matthew Segall, Philip J. D. Lindan, Matt Probert et al. · Journal of Physics Condensed Matter · 2002 · 11.8K citations · Full text

, , +11

Relaxation of Crystals with the Quasi-Newton Method

Bernd Pfrommer, Michel Côté, Steven G. Louie et al. · Journal of Computational Physics · 1997 · 3K citations

, , +10

Nitriding Iron at Lower Temperatures

Weiping Tong, N.R. Tao, Z. B. Wang et al. · Science · 2003 · 648 citations

, , +17