论文标题
氧化石墨烯水溶液的酸度：羟基的作用
Acidity of graphene oxide aqueous solutions: the role of hydroxyls unveiled
论文作者
论文摘要
水合单层石墨烯氧化石墨烯（GO）片段的非经验模型表明，水溶液的酸度至少有一个但实质性的起源是紧密分组和有利的H键羟基的分离。该过程可以通过相邻的$π$ - 缀合的碳段或其内部缺陷的边缘进一步推广。这些组的明显$ pk_a $值落在CA的范围内。 2.0至5.3。在某些条件下，电离可能会自发。
Nonempirical modeling of hydrated single-layer graphene oxide (GO) fragments revealed that at least one, but substantial origin of the acidity of aqueous GO solutions is the dissociation in closely grouped and favorably H-bonded hydroxyls. The process can further be promoted by the adjacent $π$-conjugated carbon segments at the edges of GO flakes or their inner defects. The apparent $pK_a$ values of the groups fall in a range of ca. 2.0 to 5.3. Under certain conditions the ionization may become spontaneous.
