Producing crystals of the desired form (polymorph) is currently a challenge as nucleation is yet to be fully understood. Templated crystallization is an efficient approach to achieve polymorph selectivity; however, it is still unclear how to design the template to achieve selective crystallization of specific polymorphs. More insights into the nanoscale interactions happening during nucleation are needed. In this work, we investigate crystallization of glycine using graphene, with different surface chemistry, as a template. We show that graphene induces the preferential crystallization of the metastable α-polymorph compared to the unstable β-form at the contact region of an evaporating droplet. Computer modeling indicates the presence of a small amount of oxidized moieties on graphene to be responsible for the increased stabilization of the α-form. In conclusion, our work shows that graphene could become an attractive material for polymorph selectivity and screening by exploiting its tunable surface chemistry.
Keywords: computational modeling; crystallization; glycine; graphene; polymorphism; surface chemistry.