Amorphous graphene: a constituent part of low density amorphous carbon. Issue 29 (12th July 2018)

• Record Type: Journal Article
• Authors: Bhattarai, Bishal; Biswas, Parthapratim; Atta-Fynn, Raymond; Drabold, D. A.
• Is Part Of: Physical chemistry chemical physics. Volume 20:Issue 29(2018)
• Page Start: 19546
• Page End: 19551
• Publication Date: 2018-07-12
• Subjects: Chemistry, Physical and theoretical -- Periodicals; 541.3
• DOI: 10.1039/c8cp02545b
• Languages: English
• ISSNs: 1463-9076

Abstract

Abstract : An 800-atom model of nano-porous carbon obtained from an ab initio method. The topology is warped/wrapped amorphous graphene. Abstract : In this paper, we provide evidence that low density nano-porous amorphous carbon (a-C) consists of interconnected regions of amorphous graphene (a-G). We include experimental information in producing models, while retaining the power and accuracy of ab initio methods with no biasing assumptions. Our models are highly disordered with predominant sp 2 bonding and ring connectivity mainly of sizes 5–8. The structural, dynamical and electronic signatures of our 3-D amorphous graphene are similar to those of monolayer amorphous graphene. We predict an extended x-ray absorption fine structure (EXAFS) signature of amorphous graphene. Electronic density of states calculations for 3-D amorphous graphene reveal similarity to monolayer amorphous graphene and the system is non conducting.