Mechanical properties of graphite oxides:: Ab initio simulations and continuum theory -: art. no. 212103

被引:25
作者
Incze, A
Pasturel, A
Peyla, P
机构
[1] UJF, CNRS, Lab Phys & Modelisat Milieux Condenses, F-38042 Grenoble 9, France
[2] UJF, CNRS, Spectrometrie Phys Lab, F-38402 St Martin Dheres, France
关键词
D O I
10.1103/PhysRevB.70.212103
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
The mechanical properties of oxidized graphitic layers are calculated by atomic ab initio simulations and continuum theory of elasticity. The adsorption of atomic oxygen atoms induces a nanocorrugation as well as a local bonding reinforcement that modify the bending coefficient of a graphite layer. As a matter of fact, a surface oxygen composition of 12.5% leads to an increase of the rigidity coefficient by more than a factor of 40. We thus demonstrate that oxidation also has a considerable impact on the mechanical properties of graphite structures.
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页码:1 / 4
页数:4
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