title: Patterned graphone--a novel template for molecular packing.
abstract: Precise positioning and packing of nanoscale building blocks is essential for the fabrication of many nanoelectro-mechanical devices. Carrying out such manipulations at the nanoscale still remains a challenge. Here we propose the use of graphone domain arrays embedded in a graphene sheet as a template to precisely position and pack molecules. Our atomistic simulations show that a graphone domain is able to adopt well-defined three-dimensional geometries, which in turn create 'energy wells' to trap molecules by means of physisorption. Using the C60 molecule as a model block, the stable trapping conditions are identified. The present work presents a novel route to position and pack molecules for nanoengineering applications.
authors.affiliation: Institute of High Performance Computing, 138632, Singapore. reddy@ihpc.a-star.edu.sg
authors.forename: C D
authors.initials: CD
authors.lastname: Reddy
authors.forename: Y W
authors.initials: YW
authors.lastname: Zhang
authors.forename: V B
authors.initials: VB
authors.lastname: Shenoy
mesh_terms: D003198:Computer Simulation; D037741:Fullerenes / Q000737:chemistry*; D006108:Graphite / Q000737:chemistry*; D008956:Models, Chemical; D008958:Models, Molecular; D008968:Molecular Conformation; D054802:Molecular Imprinting / Q000379:methods*; D053758:Nanoparticles / Q000737:chemistry* / Q000648:ultrastructure*
chemical_list: D037741:Fullerenes; D006108:Graphite; C069837:fullerene C60