▎ 摘　　要

We predicted a self-assembly vertical zigzag graphene oxide nanoribbons (GONR) on diamond (100) surface using the structure swarm intelligence algorithm. The results show that the GONR surface structure is dynamically and thermally stable even applied by extra strains and high temperature of 2000 K. The GONR surface structure has unique chemical bonding including hexagonal sp(2)-hybridized carbon sheets, C-O-C and C=O groups. Furthermore, GONR (width n = 1, 2, 3) surface structure exhibits a semiconductive and nonmagnetic properties with an indirect band gap, and it can be converted to semi-metals with magnetism when the width is greater than 3. The scanning tunneling microscopy image and Raman spectrum are also calculated, which give a characterization method for GONR in experiment. Our results supply a way to prepare semiconductive GONR structure by oxidizing diamond (100) surface and have an important significance in the development of graphene-based nano-electronic devices.