List of works - Chris Ewels

A Complete Overhaul of the Electron Energy-Loss Spectroscopy and X-Ray Absorption Spectroscopy Database: eelsdb.eu

scientific article

A Long-Lived Azafullerenyl Radical Stabilized by Supramolecular Shielding with a [10]Cycloparaphenylene

scientific article published on 22 October 2019

Ab initio infrared vibrational modes for neutral and charged small fullerenes (C20, C24, C26, C28, C30 and C60).

scientific article published on September 2016

Ab initiocalculations of anharmonicity of the C-H stretch mode in HCN and GaAs

scientific article published on 01 September 1994

Accurate control of the covalent functionalization of single-walled carbon nanotubes for the electro-enzymatically controlled oxidation of biomolecules

scientific article published on 26 October 2018

Applications, composites, and devices: general discussion

scientific article published on 01 January 2014

Atomic Oxygen Functionalization of Vertically Aligned Carbon Nanotubes

Atomic configuration of nitrogen-doped single-walled carbon nanotubes

scientific article

Atomic scale interface design and characterisation

scientific article

Band gap engineering via edge-functionalization of graphene nanoribbons

research work

Behavior of hydrogen ions, atoms, and molecules inα-boron studied using density functional calculations

article by Philipp Wagner et al published 21 January 2011 in Physical Review B

Boron- and nitrogen-doped multi-wall carbon nanotubes for gas detection

scholarly article in Carbon, vol. 66, January 2014

Bromination of double-walled carbon nanotubes

research work

Bromination of graphene and graphite

scholarly article in Physical Review B, vol. 83 no. 4, January 2011

Bromine polycondensation in pristine and fluorinated graphitic carbons

scientific article published on 01 August 2019

Closed network growth of fullerenes

scientific article published in Nature Communications

Comment on “Increase in specific heat and possible hindered rotation of interstitialC2molecules in neutron-irradiated graphite”

scholarly article in Physical Review B, vol. 82 no. 5, August 2010

Comparative Study of SWCNT Fluorination by Atomic and Molecular Fluorine

Comparison Between Early Stage Oxygenation Behavior of Fullerenes andCarbon Nanotubes

scientific article published on 01 October 2009

Considerations for spectroscopy of liquid-exfoliated 2D materials: emerging photoluminescence of N-methyl-2-pyrrolidone

scientific article

Controlling fullerene addition sequences, regioselectivity and magic numbers via metal encapsulation

article

Crystalline functionalized endohedral C metallofullerides

scientific article published in Nature Communications

Cyclotetrahalo-p-phenylenes: simulations of halogen substituted cycloparaphenylenes and their interaction with C60.

scientific article

DFT Modeling of Novel Donor-Acceptor (D-A) Molecules Incorporating 3-hexylthiophene (3HT) for Bulk Heterojunction Solar Cells

Defective structure of BN nanotubes: from single vacancies to dislocation lines

scientific article published in September 2006

Determining addition pathways and stable isomers for CF3 functionalization of endohedral Gd@C60

article

Dirac Cones in two-dimensional conjugated polymer networks

scientific article

Direct observation and catalytic role of mediator atom in 2D materials

scientific article published on 10 June 2020

Doping and Theory: general discussion

scientific article published on 01 January 2014

Dual fluorescence in strap ESIPT systems: a theoretical study

scientific article published on 01 January 2020

Effect of functionalization and charging on resonance energy and radial breathing modes of metallic carbon nanotubes

scholarly article in Physical Review B, vol. 93 no. 4, January 2016

Effect of the fluorination technique on the surface-fluorination patterning of double-walled carbon nanotubes

scientific article published on 15 August 2017

Electron knock-on cross section of carbon and boron nitride nanotubes

scholarly article by Alberto Zobelli et al published 5 June 2007 in Physical Review B

Electronic communication between two [10]cycloparaphenylenes and bisazafullerene (C59N)2 induced by cooperative complexation.

scientific article published on 23 March 2018

Electronic interaction in composites of a conjugated polymer and carbon nanotubes: First-principles calculation and photophysical approaches

scholarly article

Electronic structure of titania-based nanotubes investigated by EELS spectroscopy

scholarly article in Physical Review B, vol. 80 no. 3, July 2009

Elektronische Kommunikation zwischen zwei [10]Cycloparaphenylenen und Bisazafulleren (C59 N)2 induziert durch kooperative Komplexierung

Facile route to gold-graphene electrodes by exfoliation of natural graphite under electrochemical conditions

scholarly article in Carbon, vol. 107, October 2016

First Stage of Oxygen Aggregation in Silicon: The Oxygen Dimer

scientific article published in Physical Review Letters

Fullerene Interaction with Carbon Nanohorns

scientific article published on 01 October 2009

Functionalisation, separation and solvation: general discussion.

scientific article

Functionalization of MoS2 with 1,2-dithiolanes: toward donor-acceptor nanohybrids for energy conversion

Hydrogen Interaction with Dislocations in Si

scientific article published in Physical Review Letters

Impact of Structure and Morphology on Gas Adsorption of Titanate-Based Nanotubes and Nanoribbons

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

article by Bihag Anothumakkool et al published 2017 in Journal of Materials Chemistry A

Improved photoconductive properties of composite nanofibers based on aligned conjugated polymer and single-walled carbon nanotubes

Indirect magnetic coupling in light-element-doped single-walled carbon nanotubes

scientific article published in September 2010

Individualized p-Doped Carbon Nanohorns.

scientific article published on 22 July 2016

Influence of Fe/Cr on nitrogen doped carbon nanotube growth

article published in 2008

Interlayer vacancy defects in AA-stacked bilayer graphene: density functional theory predictions

scientific article published on 9 February 2017

Isolation and structure determination of missing fullerenes Gd@C74(CF3)n through in situ trifluoromethylation

scientific article published on 19 September 2018

Kinetic Monte Carlo and density functional study of hydrogen enhanced dislocation glide in silicon

Local Aromaticity of Pristine and Fluorinated Carbon Nanotubes

scientific article published on 01 October 2009

Mechanical properties of nanosheets and nanotubes investigated using a new geometry independent volume definition

scientific article published on 19 March 2013

Metallofullerene and fullerene formation from condensing carbon gas under conditions of stellar outflows and implication to stardust

scientific article

Modelling the effect of doping metallic carbon nanotubes on their ability to transfer-dope diamond

Molecular rectification with M|(D-σ-A LB film)|M junctions

article

NO2 and CO interaction with plasma treated Au-decorated MWCNTs: Detection pathways

Nitrogen implantation of suspended graphene flakes: Annealing effects and selectivity of sp2 nitrogen species

article

Nitrogen ion casting on vertically aligned carbon nanotubes: Tip and sidewall chemical modification

scholarly article in Carbon, vol. 77, October 2014

Nitrogen violation of the isolated pentagon rule

scientific article

Nomenclature of sp2 carbon nanoforms

article

Oxidation and reactivity of nitrogen- and phosphorus-doped heterofullerenes

scientific article published on 07 March 2008

Photo-induced changes of hydrogen bonding in semi-insulating iron-doped indium phosphide

Plasma Fluorination of Vertically Aligned Carbon Nanotubes

article published in 2013

Predicting experimentally stable allotropes: Instability of penta-graphene

scientific article

Probing plasma fluorinated graphene via spectromicroscopy

scientific article published on 01 November 2017

Purification of single-walled carbon nanotubes

Reaction Mechanisms for Graphene and Carbon Nanotube Fluorination

Selective decoration of isolated carbon nanotubes by potassium evaporation: scanning photoemission microscopy and density functional theory

Shallow Thermal Donor Defects in Silicon

scientific article published in Physical Review Letters

Shaping single walled nanotubes with an electron beam

scholarly article in Physical Review B, vol. 77 no. 4, January 2008

Simulation of the delamination of thin films

Spectromicroscopy of C60 and azafullerene C59N: Identifying surface adsorbed water

scientific article published on 17 October 2016

Spectroscopy and Defect Identification for Fluorinated Carbon Nanotubes

scientific article published on 01 April 2009

Stability of Fluorinated Double-Walled Carbon Nanotubes Produced by Different Fluorination Techniques

Stability, thermal homolysis and intermediate phases of solid hydroazafullerene C59HN

scientific article published on 01 August 2007

Stable hydrogenated graphene edge types: Normal and reconstructed Klein edges

scholarly article in Physical Review B, vol. 88 no. 9, September 2013

Structure and Vibrational Properties of Oxohalides of Vanadium

article

Structure, Properties, Functionalization, and Applications of Carbon Nanohorns

scientific article published on 13 April 2016

Study of the Interface between Rhodium and Carbon Nanotubes

scientific article published on 01 March 2010

Synthesis in gas and liquid phase: general discussion

Synthesis of Substituted [8]Cycloparaphenylenes by [2 + 2 + 2] Cycloaddition

scientific article published on 05 March 2014

TD-DFT and CC2 insights into the dual-emissive behaviour of 2-(2'-hydroxyphenyl)oxazoles core and their derivatives

scientific article published on 29 October 2020

TXM-NEXAFS of TiO[sub 2]-Based Nanostructures

The role of oxygen at the interface between titanium and carbon nanotubes

scientific article published in August 2009

Theoretical Analysis of Fluorine Addition to Single-Walled Carbon Nanotubes: Functionalization Routes and Addition Patterns

article

Theoretical Study of the Addition Patterns of C60Fluorination: C60Fn(n= 1−60)

article

Theoretical studies on nitrogen - oxygen complexes in silicon

Towards atomic resolution in sodium titanate nanotubes using near-edge X-ray-absorption fine-structure spectromicroscopy combined with multichannel multiple-scattering calculations

scientific article published on 23 November 2012

Transition Metal Deposition on Graphene and Carbon Nanotubes

scientific article published on 01 October 2009

Tuning the Raman Resonance Behavior of Single-Walled Carbon Nanotubes via Covalent Functionalization

scientific article published on 04 October 2011

Unraveling the real structures of solution-based and surface-bound poly(3-hexylthiophene) (P3HT) oligomers: a combined theoretical and experimental study

article by Dalila Khlaifia et al published 2016 in RSC Advances

Vacancy migration in hexagonal boron nitride

scholarly article in Physical Review B, vol. 75 no. 9, March 2007

Wigner defects bridge the graphite gap

scientific article published on 01 May 2003

X-ray absorption spectroscopy by full-field X-ray microscopy of a thin graphite flake: Imaging and electronic structure via the carbon K-edge

scientific article published on 25 April 2012

List of works by Chris Ewels

A Complete Overhaul of the Electron Energy-Loss Spectroscopy and X-Ray Absorption Spectroscopy Database: eelsdb.eu

A Long-Lived Azafullerenyl Radical Stabilized by Supramolecular Shielding with a [10]Cycloparaphenylene

Ab initio infrared vibrational modes for neutral and charged small fullerenes (C20, C24, C26, C28, C30 and C60).

Ab initiocalculations of anharmonicity of the C-H stretch mode in HCN and GaAs

Accurate control of the covalent functionalization of single-walled carbon nanotubes for the electro-enzymatically controlled oxidation of biomolecules

Applications, composites, and devices: general discussion

Atomic Oxygen Functionalization of Vertically Aligned Carbon Nanotubes

Atomic configuration of nitrogen-doped single-walled carbon nanotubes

Atomic scale interface design and characterisation

Band gap engineering via edge-functionalization of graphene nanoribbons

Behavior of hydrogen ions, atoms, and molecules inα-boron studied using density functional calculations

Boron- and nitrogen-doped multi-wall carbon nanotubes for gas detection

Bromination of double-walled carbon nanotubes

Bromination of graphene and graphite

Bromine polycondensation in pristine and fluorinated graphitic carbons

Closed network growth of fullerenes

Comment on “Increase in specific heat and possible hindered rotation of interstitialC2molecules in neutron-irradiated graphite”

Comparative Study of SWCNT Fluorination by Atomic and Molecular Fluorine

Comparison Between Early Stage Oxygenation Behavior of Fullerenes andCarbon Nanotubes

Considerations for spectroscopy of liquid-exfoliated 2D materials: emerging photoluminescence of N-methyl-2-pyrrolidone

Controlling fullerene addition sequences, regioselectivity and magic numbers via metal encapsulation

Crystalline functionalized endohedral C metallofullerides

Cyclotetrahalo-p-phenylenes: simulations of halogen substituted cycloparaphenylenes and their interaction with C60.

DFT Modeling of Novel Donor-Acceptor (D-A) Molecules Incorporating 3-hexylthiophene (3HT) for Bulk Heterojunction Solar Cells

Defective structure of BN nanotubes: from single vacancies to dislocation lines

Determining addition pathways and stable isomers for CF3 functionalization of endohedral Gd@C60

Dirac Cones in two-dimensional conjugated polymer networks

Direct observation and catalytic role of mediator atom in 2D materials

Doping and Theory: general discussion

Dual fluorescence in strap ESIPT systems: a theoretical study

Effect of functionalization and charging on resonance energy and radial breathing modes of metallic carbon nanotubes

Effect of the fluorination technique on the surface-fluorination patterning of double-walled carbon nanotubes

Electron knock-on cross section of carbon and boron nitride nanotubes

Electronic communication between two [10]cycloparaphenylenes and bisazafullerene (C59N)2 induced by cooperative complexation.

Electronic interaction in composites of a conjugated polymer and carbon nanotubes: First-principles calculation and photophysical approaches

Electronic structure of titania-based nanotubes investigated by EELS spectroscopy

Elektronische Kommunikation zwischen zwei [10]Cycloparaphenylenen und Bisazafulleren (C59 N)2 induziert durch kooperative Komplexierung

Facile route to gold-graphene electrodes by exfoliation of natural graphite under electrochemical conditions

First Stage of Oxygen Aggregation in Silicon: The Oxygen Dimer

Fullerene Interaction with Carbon Nanohorns

Functionalisation, separation and solvation: general discussion.

Functionalization of MoS2 with 1,2-dithiolanes: toward donor-acceptor nanohybrids for energy conversion

Hydrogen Interaction with Dislocations in Si

Impact of Structure and Morphology on Gas Adsorption of Titanate-Based Nanotubes and Nanoribbons

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

Improved photoconductive properties of composite nanofibers based on aligned conjugated polymer and single-walled carbon nanotubes

Indirect magnetic coupling in light-element-doped single-walled carbon nanotubes

Individualized p-Doped Carbon Nanohorns.

Influence of Fe/Cr on nitrogen doped carbon nanotube growth

Interlayer vacancy defects in AA-stacked bilayer graphene: density functional theory predictions

Isolation and structure determination of missing fullerenes Gd@C74(CF3)n through in situ trifluoromethylation

Kinetic Monte Carlo and density functional study of hydrogen enhanced dislocation glide in silicon

Local Aromaticity of Pristine and Fluorinated Carbon Nanotubes

Mechanical properties of nanosheets and nanotubes investigated using a new geometry independent volume definition

Metallofullerene and fullerene formation from condensing carbon gas under conditions of stellar outflows and implication to stardust

Modelling the effect of doping metallic carbon nanotubes on their ability to transfer-dope diamond

Molecular rectification with M|(D-σ-A LB film)|M junctions

NO2 and CO interaction with plasma treated Au-decorated MWCNTs: Detection pathways

Nitrogen implantation of suspended graphene flakes: Annealing effects and selectivity of sp2 nitrogen species

Nitrogen ion casting on vertically aligned carbon nanotubes: Tip and sidewall chemical modification

Nitrogen violation of the isolated pentagon rule

Nomenclature of sp2 carbon nanoforms

Oxidation and reactivity of nitrogen- and phosphorus-doped heterofullerenes

Photo-induced changes of hydrogen bonding in semi-insulating iron-doped indium phosphide

Plasma Fluorination of Vertically Aligned Carbon Nanotubes

Predicting experimentally stable allotropes: Instability of penta-graphene

Probing plasma fluorinated graphene via spectromicroscopy

Purification of single-walled carbon nanotubes

Reaction Mechanisms for Graphene and Carbon Nanotube Fluorination

Selective decoration of isolated carbon nanotubes by potassium evaporation: scanning photoemission microscopy and density functional theory

Shallow Thermal Donor Defects in Silicon

Shaping single walled nanotubes with an electron beam

Simulation of the delamination of thin films

Spectromicroscopy of C60 and azafullerene C59N: Identifying surface adsorbed water

Spectroscopy and Defect Identification for Fluorinated Carbon Nanotubes

Stability of Fluorinated Double-Walled Carbon Nanotubes Produced by Different Fluorination Techniques

Stability, thermal homolysis and intermediate phases of solid hydroazafullerene C59HN

Stable hydrogenated graphene edge types: Normal and reconstructed Klein edges

Structure and Vibrational Properties of Oxohalides of Vanadium