73 citations · 252 across the 7 of their papers we have counts for
7 papers
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…
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…
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…
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…
Coverage Dependence of the Level Alignment for Methanol on TiO(110)
Annapaola Migani, Duncan J. Mowbray
Electronic level alignment at the interface between an adsorbed molecular layer and a semiconducting substrate determines the activity and efficiency of many photocatalytic materia…
Level alignment of a prototypical photocatalytic system: Methanol on TiO2(110)
Annapaola Migani, Duncan J. Mowbray, Amilcare Iacomino +3
Photocatalytic and photovoltaic activity depends on the optimal alignment of electronic levels at the molecule/semiconductor interface. Establishing level alignment experimentally…
Gold and Methane: A Noble Combination for Delicate Oxidation
Duncan J. Mowbray, Annapaola Migani, Guido Walther +2
The ability to partially oxidize methane at low temperatures and pressures would have important environmental and economic applications. Although methane oxidation on gold nanopart…