List of works - Duncan J. Mowbray

A combined photoemission and ab initio study of the electronic structure of (6,4)/(6,5) enriched single wall carbon nanotubes

An Archaeometric Characterization of Ecuadorian Pottery

scientific article published on 25 February 2019

Anomalous insulator-metal transition in boron nitride-graphene hybrid atomic layers

scholarly article in Physical Review B, vol. 86 no. 7, August 2012

Calculation of the graphene C1score level binding energy ⬇️

scholarly article in Physical Review B, vol. 91 no. 8, February 2015

Channeling of charge carrier plasmons in carbon nanotubes

scholarly article in Physical Review B, vol. 85 no. 8, February 2012

Channelling of dipolar molecules through carbon nanotubes ⬇️

scientific article published on September 21, 2007

Combined experimental andab initiostudy of the electronic structure of narrow-diameter single-wall carbon nanotubes with predominant (6,4),(6,5) chirality

scholarly article in Physical Review B, vol. 82 no. 12, September 2010

Comparative study of anchoring groups for molecular electronics: structure and conductance of Au-S-Au and Au-NH(2)-Au junctions.

scientific article

Comparing Quasiparticle H2O Level Alignment on Anatase and Rutile TiO2 ⬇️

Computing C1 s X-ray Absorption for Single-Walled Carbon Nanotubes with Distinct Electronic Type

article published in 2011

Correction to “Using G0W0 Level Alignment to Identify Catechol’s Structure on TiO2(110)”

scholarly article published in Journal of Physical Chemistry C

Coverage dependence of the level alignment for methanol on TiO2(110) ⬇️

Density functional theory based screening of ternary alkali-transition metal borohydrides: a computational material design project.

scientific article published in July 2009

Designing multifunctional chemical sensors using Ni and Cu doped carbon nanotubes

scientific article published on 4 October 2010

Direct imaging of covalent bond structure in single-molecule chemical reactions.

scientific article published on 30 May 2013

Disentangling Vacancy Oxidation on Metallicity-Sorted Carbon Nanotubes ⬇️

Gold and Methane: A Noble Combination for Delicate Oxidation

Influence of functional groups on charge transport in molecular junctions

scientific article

Influence ofO2andN2on the conductivity of carbon nanotube networks

scholarly article in Physical Review B, vol. 79 no. 19, May 2009

LCAO-TDDFT-k-ω: spectroscopy in the optical limit

scientific article published on 05 June 2020

Level alignment of a prototypical photocatalytic system: methanol on TiO2(110).

scientific article published on 26 July 2013

Modeling nanoscale gas sensors under realistic conditions: Computational screening of metal-doped carbon nanotubes

scientific article published on 22 June 2010

Modelling the effect of nuclear motion on the attosecond time-resolved photoelectron spectra of ethylene ⬇️

Optical Absorption Spectra and Excitons of Dye-Substrate Interfaces: Catechol on TiO2(110). ⬇️

scientific article published on 16 May 2016

Optical excitations of chlorophyll a and b monomers and dimers

scientific article published on 01 November 2019

PFO-BPy solubilizers for SWNTs: Modelling of polymers from oligomers ⬇️

Photoinduced Absorption within Single-Walled Carbon Nanotube Systems ⬇️

Photoinduced C-C reactions on insulators toward photolithography of graphene nanoarchitectures

scientific article

Quasiparticle Level Alignment for Photocatalytic Interfaces ⬇️

scientific article published on 25 April 2014

Quasiparticle interfacial level alignment of highly hybridized frontier levels: H2O on TiO2(110). ⬇️

scientific article published on 3 December 2014

Revealing the adsorption mechanisms of nitroxides on ultrapure, metallicity-sorted carbon nanotubes

scientific article published on 13 January 2014

Roles of Precursor Conformation and Adatoms in Ullmann Coupling: An Inverted Porphyrin on Cu(111)

Scanning Tunneling Microscopy Evidence for the Dissociation of Carbon Monoxide on Ruthenium Steps

article

Solid-state reactions in binary molecular assemblies of F₁₆CuPc and pentacene

scientific article published on 13 December 2010

Stability and Electronic Properties of TiO2 Nanostructures With and Without B and N Doping

scientific article published on 19 June 2009

Supramolecular Environment-Dependent Electronic Properties of Metal–Organic Interfaces

article

Time-dependent density-functional theory of strong-field ionization of atoms by soft x rays ⬇️

scientific article published on 11 September 2014

Trends in CO Oxidation Rates for Metal Nanoparticles and Close-Packed, Stepped, and Kinked Surfaces

article published in 2009

Trends in Metal Oxide Stability for Nanorods, Nanotubes, and Surfaces

scientific article published on 23 December 2010

Tuning MgB2(0001) surface states through surface termination

scholarly article in Physical Review B, vol. 84 no. 10, September 2011

Understanding Charge Transfer in Donor–Acceptor/Metal Systems: A Combined Theoretical and Experimental Study

Understanding energy-level alignment in donor-acceptor/metal interfaces from core-level shifts

scientific article

Understanding the Electron-Doping Mechanism in Potassium-Intercalated Single-Walled Carbon Nanotubes

scientific article published on 22 January 2020

List of works by Duncan J. Mowbray

A combined photoemission and ab initio study of the electronic structure of (6,4)/(6,5) enriched single wall carbon nanotubes

An Archaeometric Characterization of Ecuadorian Pottery

Anomalous insulator-metal transition in boron nitride-graphene hybrid atomic layers

Calculation of the graphene C1score level binding energy ⬇️

Channeling of charge carrier plasmons in carbon nanotubes

Channelling of dipolar molecules through carbon nanotubes ⬇️

Combined experimental andab initiostudy of the electronic structure of narrow-diameter single-wall carbon nanotubes with predominant (6,4),(6,5) chirality

Comparative study of anchoring groups for molecular electronics: structure and conductance of Au-S-Au and Au-NH(2)-Au junctions.

Comparing Quasiparticle H2O Level Alignment on Anatase and Rutile TiO2 ⬇️

Computing C1 s X-ray Absorption for Single-Walled Carbon Nanotubes with Distinct Electronic Type

Correction to “Using G0W0 Level Alignment to Identify Catechol’s Structure on TiO2(110)”

Coverage dependence of the level alignment for methanol on TiO2(110) ⬇️

Density functional theory based screening of ternary alkali-transition metal borohydrides: a computational material design project.

Designing multifunctional chemical sensors using Ni and Cu doped carbon nanotubes

Direct imaging of covalent bond structure in single-molecule chemical reactions.

Disentangling Vacancy Oxidation on Metallicity-Sorted Carbon Nanotubes ⬇️

Gold and Methane: A Noble Combination for Delicate Oxidation

Influence of functional groups on charge transport in molecular junctions

Influence ofO2andN2on the conductivity of carbon nanotube networks

LCAO-TDDFT-k-ω: spectroscopy in the optical limit

Level alignment of a prototypical photocatalytic system: methanol on TiO2(110).

Modeling nanoscale gas sensors under realistic conditions: Computational screening of metal-doped carbon nanotubes

Modelling the effect of nuclear motion on the attosecond time-resolved photoelectron spectra of ethylene ⬇️

Optical Absorption Spectra and Excitons of Dye-Substrate Interfaces: Catechol on TiO2(110). ⬇️

Optical excitations of chlorophyll a and b monomers and dimers

PFO-BPy solubilizers for SWNTs: Modelling of polymers from oligomers ⬇️

Photoinduced Absorption within Single-Walled Carbon Nanotube Systems ⬇️

Photoinduced C-C reactions on insulators toward photolithography of graphene nanoarchitectures

Quasiparticle Level Alignment for Photocatalytic Interfaces ⬇️

Quasiparticle interfacial level alignment of highly hybridized frontier levels: H2O on TiO2(110). ⬇️

Revealing the adsorption mechanisms of nitroxides on ultrapure, metallicity-sorted carbon nanotubes

Roles of Precursor Conformation and Adatoms in Ullmann Coupling: An Inverted Porphyrin on Cu(111)

Scanning Tunneling Microscopy Evidence for the Dissociation of Carbon Monoxide on Ruthenium Steps

Solid-state reactions in binary molecular assemblies of F₁₆CuPc and pentacene

Stability and Electronic Properties of TiO2 Nanostructures With and Without B and N Doping

Supramolecular Environment-Dependent Electronic Properties of Metal–Organic Interfaces

Time-dependent density-functional theory of strong-field ionization of atoms by soft x rays ⬇️

Trends in CO Oxidation Rates for Metal Nanoparticles and Close-Packed, Stepped, and Kinked Surfaces

Trends in Metal Oxide Stability for Nanorods, Nanotubes, and Surfaces

Tuning MgB2(0001) surface states through surface termination

Understanding Charge Transfer in Donor–Acceptor/Metal Systems: A Combined Theoretical and Experimental Study

Understanding energy-level alignment in donor-acceptor/metal interfaces from core-level shifts

Understanding the Electron-Doping Mechanism in Potassium-Intercalated Single-Walled Carbon Nanotubes

Using G0W0 Level Alignment to Identify Catechol’s Structure on TiO2(110) ⬇️