127 citations · 649 across the 15 of their papers we have counts for
11 papers · 1 filter
Electronic structure of folded hexagonal boron nitride
Anthony Impellizzeri, Michele Amato, Chris P. Ewels +1
Folded regions are commonly encountered in a number of hexagonal boron nitride (h-BN) based bulk and nanostructured materials. Two types of structural modifications occur in folded…
Prismatic Edge Dislocations in Graphite
James G. McHugh, Pavlos Mouratidis, Anthony Impellizzeri +3
Dislocations are a central concept in materials science, which dictate the plastic deformation and damage evolution in materials. Layered materials such as graphite admit two gener…
Improved electro-grafting of nitropyrene onto onion-like carbon via in situ electrochemical reduction and polymerization: Tailoring redox energy density of the supercapacitor positive electrode
Bihag Anothumakkool, Yuman Sayed-Ahmad-Baraza, Chris Ewels +5
Herein, we report a improved method for the physical grafting of 1-nitropyrene (Pyr-NO2) onto highly graphitized carbon onion. This is achieved through a lowering of the onset pote…
Crystalline C60 fulleride with metal inside
Ayano Nakagawa, Makiko Nishino, Hiroyuki Niwa +11
Endohedral metallofullerenes have been extensively studied, since the first experimental observation of La@C60 in a laser-vaporized supersonic beam in 1985. However, all of these s…
A complete overhaul of the EELS and XAS database: eelsdb.eu
Philip Ewels, Thierry Sikora, Virginie Serin +2
The Electron Energy-Loss Spectroscopy (EELS) and X-ray Absorption Spectroscopy (XAS) database has been completely rewritten, with an improved design, user interface and a number of…
A comparative study of density functional and density functional tight binding calculations of defects in graphene
Alberto Zobelli, Viktoria V. Ivanovskaya, Philipp Wagner +3
The density functional tight binding approach (DFTB) is well adapted for the study of point and line defects in graphene based systems. After briefly reviewing the use of DFTB in t…