Concepedia

DFT study on the electronic structure and optical properties of N, Al, and N-Al doped graphene

Xi Zhou, Cuihua Zhao, Guofei Wu, Jianhua Chen, Yuqiong Li

Applied Surface Science · 2018 · 109 citations · 35 references

DOI

Concepts

References

35

Generalized Gradient Approximation Made Simple

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

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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

, , +14

The rise of graphene

A. K. Geǐm, Kostya S. Novoselov · Nature Materials · 2007 · 39.5K citations

, , +9

Graphene: Status and Prospects

A. K. Geǐm · Science · 2009 · 13.9K citations · Full text

, , +17

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