Concepedia

First principles studies of the graphene-phenol interactions

Jose Mario Galicia Hernández, Ernesto Chigo Anota, María Teresa Romero de la Cruz, Minerva González-Melchor, Gregorio H. Cocoletzi

Journal of Molecular Modeling · 2012 · 38 citations · 13 references

DOI

Concepts

References

13

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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The rise of graphene

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

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Enhancement of CO detection in Al doped graphene

Zhimin Ao, Jack Yang, S. Li et al. · Chemical Physics Letters · 2008 · 452 citations · Full text

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Density functional calculation of transition metal adatom adsorption on graphene

Yuliang Mao, Jianmei Yuan, Jianxin Zhong · Journal of Physics Condensed Matter · 2008 · 326 citations · Full text

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Adsorption of formaldehyde molecule on the intrinsic and Al-doped graphene: A first principle study

Mei Chi, Ya‐Pu Zhao · Computational Materials Science · 2009 · 262 citations · Full text

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