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Inside Cover, Volume 114, Issue 23
Publication year - 2014
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.24807
Subject(s) - graphene , cover (algebra) , chemisorption , atom (system on chip) , physics , nanotechnology , crystallography , materials science , chemistry , computer science , adsorption , mechanical engineering , engineering , embedded system
Understanding the interaction of atomic nitrogen impurities with graphene is vital for optimizing the graphene doping and controlling incorporation of nitrogen adatoms in the sheet, which affects the electronic properties of the material. The theoretical calculations of Babita Rani and Keya Dharamvir on page 1619 (DOI: 10.1002/qua.24741 ) explore various configurations for two nitrogen adatoms on graphene, estimating their relative structural stability and electronic structure. The cover shows two nitrogen atoms forming a bridge across opposite bonds of a hexagon of 96 atom graphene. This chemisorption also distorts graphene, displacing C‐atoms perpendicular to the sheet.