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趋近于真正独立的石墨烯:氢插层石墨烯在 6H-SiC(0001)上的结构。

Approaching truly freestanding graphene: the structure of hydrogen-intercalated graphene on 6H-SiC(0001).

机构信息

Peter Grünberg Institut (PGI-3), Forschungszentrum Jülich, 52425 Jülich, Germany.

Jülich Aachen Research Alliance (JARA), Fundamentals of Future Information Technology, 52425 Jülich, Germany.

出版信息

Phys Rev Lett. 2015 Mar 13;114(10):106804. doi: 10.1103/PhysRevLett.114.106804. Epub 2015 Mar 10.

Abstract

We measure the adsorption height of hydrogen-intercalated quasifreestanding monolayer graphene on the (0001) face of 6H silicon carbide by the normal incidence x-ray standing wave technique. A density functional calculation for the full (6√3×6√3)-R30° unit cell, based on a van der Waals corrected exchange correlation functional, finds a purely physisorptive adsorption height in excellent agreement with experiments, a very low buckling of the graphene layer, a very homogeneous electron density at the interface, and the lowest known adsorption energy per atom for graphene on any substrate. A structural comparison to other graphenes suggests that hydrogen-intercalated graphene on 6H-SiC(0001) approaches ideal graphene.

摘要

我们通过垂直入射 X 射线驻波技术测量了氢插层准自由单层石墨烯在 6H 碳化硅(0001)面上的吸附高度。基于范德华修正交换相关泛函的全(6√3×6√3)-R30°单元的密度泛函计算,发现吸附高度与实验结果非常吻合,石墨烯层的弯曲很小,界面处的电子密度非常均匀,且已知的石墨烯在任何衬底上的吸附能最低。与其他石墨烯的结构比较表明,6H-SiC(0001)上的氢插层石墨烯接近理想的石墨烯。

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