We report the quantitative adsorption structure of pristine graphene on Cu(111) determined using the normal incidence x-ray standing wave technique. The experiments constitute an important benchmark reference for the development of density functional theory approximations able to capture long-range dispersion interactions. Electronic structure calculations based on many-body dispersion-inclusive density functional theory are able to accurately predict the absolute measure and variation of adsorption height when the coexistence of multiple moiré superstructures is considered. This provides a structural model consistent with scanning probe microscopy results.

中文翻译：

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Cu(111) 上生长的石墨烯结构：X 射线驻波测量和密度泛函理论预测

我们报告了使用正入射 X 射线驻波技术测定的原始石墨烯在 Cu(111) 上的定量吸附结构。这些实验为发展能够捕获长程色散相互作用的密度泛函理论近似提供了重要的基准参考。当考虑多个莫尔超结构共存时，基于多体色散包容密度泛函理论的电子结构计算能够准确预测吸附高度的绝对测量和变化。这提供了与扫描探针显微镜结果一致的结构模型。