石墨烯超晶格

摘要：

利用第一性原理计算，我们表明，直接从碳和水的碳水化合物的形成是积极有利的，当石墨烯膜受到水的环境与两侧的化学势的差异。所得的碳水化合物是二维的，其中氢原子仅连接在石墨烯的一侧，而另一侧的羟基形成优化氢键的人字形重构。我们表明，石墨烯undergos半金属绝缘体过渡后水合，这是很容易检测到的显着位移的振动光谱。石墨烯的水合物形式表明石墨烯在电子学中的新应用，无论是沉积在基底上还是在溶液中。

英文摘要：

Using first-principles calculations, we show that the formation of carbohydrate directly from carbon and water is energetically favored when graphene membrane is subjected to aqueous environment with difference in chemical potential across the two sides. The resultant carbohydrate is two-dimensional, where the hydrogen atoms are exclusively attached on one side of graphene while the hydroxyl groups on the other side form a herringbone reconstruction that optimizes hydrogen bonding. We show that graphene undergos semi-metal-insulator transition upon hydration which is readily detectable from the significant shift in the vibration spectrum. The hydrate form of graphene suggests new applications for graphene in electronics, either deposited on a substrate or in solution.

机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。