More articles, news and info about Graphdiyne will be coming soon. Graphdiyne is a newly discovered two-dimensional carbon allotrope with many special features. Graphdiyne.com is owned by Mike Favale
Translate
Thursday, June 6, 2013
Structural, Electronic, and Optical Properties of Bulk Graphdiyne
Guangfu Luo , Qiye Zheng , Wai-Ning Mei , Jing Lu , and Shigeru Nagase
J. Phys. Chem. C, Just Accepted Manuscript
DOI: 10.1021/jp402218k
Publication Date (Web): June 4, 2013
Copyright © 2013 American Chemical Society
Abstract
Graphdiyne is a newly discovered two-dimensional carbon allotrope with many special features. Using density functional theory plus van der Waals (vdW) density functional, we investigate the structural, electronic, and optical properties of several possible graphdiyne bulk structures. We find that bulk graphdiyne can be either a semiconductor or a metal, depending on its stacking configuration. The interlayer vdW force redshifts the optical absorption peaks of bulk graphdiyne relative to those of the monolayer, and spectra of different stackings display notable differences in the energy range below 1 eV. Finally, combining with earlier electrical and optical experiments, we identify the structure of the recently synthesized graphdiyne film.
Posted by Mike Favale
Tellcar Innovations, LLC
www.tellcar.com
owner of Graphdiyne.com
Subscribe to:
Posts (Atom)