Understanding controls on interfacial wetting at epitaxial graphene: Experiment and theory

被引：91

作者：

Zhou, Hua ^{[1
]}

Ganesh, P. ^{[2
]}

Presser, Volker ^{[3
,4
]}

Wander, Matthew C. F. ^{[5
]}

Fenter, Paul ^{[1
]}

Kent, Paul R. C. ^{[2
]}

Jiang, De-en ^{[6
]}

Chialvo, Ariel A. ^{[6
]}

McDonough, John ^{[3
,4
]}

Shuford, Kevin L. ^{[5
]}

Gogotsi, Yury ^{[3
,4
]}

机构：

[1] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA

[2] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA

[3] Drexel Univ, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA

[4] Drexel Univ, AJ Drexel Nanotechnol Inst, Philadelphia, PA 19104 USA

[5] Drexel Univ, Dept Chem, Philadelphia, PA 19104 USA

[6] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA

来源：

PHYSICAL REVIEW B | 2012年 / 85卷 / 03期

关键词：

MOLECULAR-DYNAMICS; AQUEOUS-SOLUTIONS; WATER; SIMULATION; GRAPHITE; SURFACES;

D O I：

10.1103/PhysRevB.85.035406

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The interaction of interfacial water with graphitic carbon at the atomic scale is studied as a function of the hydrophobicity of epitaxial graphene. High resolution x-ray reflectivity shows that the graphene-water contact angle is controlled by the average graphene thickness, due to the fraction of the film surface expressed as the epitaxial buffer layer whose contact angle (contact angle theta(c) = 73 degrees) is substantially smaller than that of multilayer graphene (theta(c) = 93 degrees). Classical and ab initio molecular dynamics simulations show that the reduced contact angle of the buffer layer is due to both its epitaxy with the SiC substrate and the presence of interfacial defects. This insight clarifies the relationship between interfacial water structure and hydrophobicity, in general, and suggests new routes to control interface properties of epitaxial graphene.

引用

页数：11

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