activity
20082021
most citedInfluence of Functional Groups on Charge Transport in Molecular Junctions

119 citations · 1.1k across the 41 of their papers we have counts for

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21 papers · 1 filter

cond-mat.mtrl-sci2021★ 20 cited

Ab initio study of electromagnatic modes in two-dimensional semiconductors: Application to doped phosphorene

Dino Novko, Keenan Lyon, Duncan J. Mowbray +1

Starting from the rigorous quantum-field-theory formalism we derive a formula for the screened conductivity designed to study the coupling of light with elementary electron excitat…

cond-mat.mtrl-sci2016★ 33 cited

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

Duncan John Mowbray, Annapaola Migani

Optimizing the photovoltaic efficiency of dye-sensitized solar cells (DSSC) based on staggered gap heterojunctions requires a detailed understanding of sub-band gap transitions in…

cond-mat.mtrl-sci2016★ 13 cited

Photoinduced Absorption within Single-Walled Carbon Nanotube Systems

Livia Noëmi Glanzmann, Duncan John Mowbray, Diana Gisell Figueroa del Valle +3

We study the photoabsorption properties of photoactive bulk polymer/ fullerene/nanotube heterojunctions in the near-infrared region. By combining pump-probe spectroscopy and linear…

cond-mat.mtrl-sci2015★ 14 cited

Using Level Alignment to Identify Catechol's Structure on TiO(110)

Duncan J. Mowbray, Annapaola Migani

We perform state-of-the-art calculations for a prototypical dye sensitized solar cell: catechol on rutile TiO(110). Catechol is often used as an anchoring group for larger more…

cond-mat.mtrl-sci2015★ 55 cited

Comparing quasiparticle HO level alignment on anatase and rutile TiO

Huijuan Sun, Duncan J. Mowbray, Annapaola Migani +3

Knowledge of the molecular frontier levels' alignment in the ground state can be used to predict the photocatalytic activity of an interface. The position of the adsorbate's highes…

cond-mat.mtrl-sci2015★ 29 cited

Quasiparticle interfacial level alignment of highly hybridized frontier levels: HO on TiO(110)

Annapaola Migani, Duncan J. Mowbray, Jin Zhao +1

Knowledge of the frontier levels' alignment prior to photo-irradiation is necessary to achieve a complete quantitative description of HO photocatalysis on TiO(110). Althoug…