Concepedia

Metal-free boron and sulphur co-doped carbon nanofibers with optimized p-band centers for highly efficient nitrogen electroreduction to ammonia

Yankun Wen, Han Zhu, Jiace Hao, Shuanglong Lu, Wei Zong, Feili Lai, Piming Ma, Weifu Dong, Tianxi Liu, Mingliang Du

Applied Catalysis B: Environmental · 2021 · 98 citations · 48 references

DOI

Concepts

References

48

Projector augmented-wave method

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

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Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

Georg Kresse, J. Furthmüller · Computational Materials Science · 1996 · 74.7K citations

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Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

John P. Perdew, J. A. Chevary, S. H. Vosko et al. · Physical review. B, Condensed matter · 1992 · 22K citations

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How a century of ammonia synthesis changed the world

Jan Willem Erisman, Mark A. Sutton, James N. Galloway et al. · Nature Geoscience · 2008 · 4.5K citations

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Advancing the Electrochemistry of the Hydrogen‐Evolution Reaction through Combining Experiment and Theory

Yao Zheng, Yan Jiao, Mietek Jaroniec et al. · Angewandte Chemie International Edition · 2014 · 2K citations

, , +17