(593) 62 999 130 / Ext.: 2612

Duncan.Mowbray@yachaytech.edu.ec

Biography

Duncan Mowbray graduated with a Bachelor of Mathematics in Honours Applied Mathematics (with distinction) and a Bachelor of Science in Honours Physics (Dean’s Honours List) from the University of Waterloo in the year 2000.  He then received in 2003 a Master of Science in Physics from the University of Waterloo on “Coefficient Based Simulation of Quantum Algorithms”.  In 2007, Duncan was awarded a Doctorate of Philosophy in Applied Mathematics from the University of Waterloo for his research on “Hydrodynamic Modelling of Carbon Nanotubes”.  For the next two years, Duncan worked as a Postdoctoral Researcher in the group of Prof. Jens K. Nørskov at the Center of Atomic-scale Materials Design of the Technical University of Denmark.  Duncan then joined the Nano-Bio Spectroscopy Group and ETSF Scientific Development Center at the University of the Basque Country in 2010 under the supervision of Prof. Angel Rubio, where he was awarded the Juan de la Cierva Fellowship from the Spanish Ministry.   Finally, in 2016 Duncan joined the School of Physical Sciences and Nanotechnology at Yachay Tech as an Associate Professor. Duncan has published 63 letters and articles, 19 as first author, in refereed journals such as Science, JACS, ACS Nano, JCTC, JPC Letters, Physical Review A and B.

Summary of Interests

Theory development, modeling,  and simulation of nanomaterials, including the calculation of the structure, electronic properties, catalyic activity, and conductivity of novel nanomaterials, in the areas of photovoltaics, photocatalyis, nanosensing, nanoelectronics, plasmonics, and spectroscopy simulation.

Current Research projects

The training of neural networks to provide a systematically more accurate description of the exact xc-functional within density functional theory.
The development and implementation of a new theoretical framework within the non-equilibrium Green’s function methodology to describe photoinduced quantum transport.
Using recent XAS and EELS measurements of isolated chirality sorted SWNTs to benchmark and corroborate DFT, RPA, and BSE calculations using LDA, PBE, and vdW-DF xc-functionals.

Selected Publications

“Direct Imaging of Covalent Bond Structure in Single-Molecule Reactions”, D. G. de Orteyza, P. Gorman, Y.-C. Chen, S. Wickenburg, A. Riss, D. J. Mowbray, G. Etkin, Z. Pedramrazi, H.-Z. Tsai, A. Rubio, M. F. Crommie, and F. R. Fischer, Science 340, 1434 (2013). Times Cited: 119.

“Trends in CO Oxidation Rates for Metal Nanoparticles and Close-Packed, Stepped, and Kinked Surfaces” T. Jiang, D. J. Mowbray, S. Dobrin, H. Falsig, B. Hvolbæk, T. Bligaard, and J. K. Nørskov, J. Phys. Chem. C 113, 10548 (2009). Times Cited: 119.

“Influence of functional groups on charge transport in molecular junctions”, D. J. Mowbray, G. Jones, and K. S. Thygesen, J. Chem. Phys. 128, 111103 (2008). Times Cited: 69.

“Interactions of fast ions with carbon nanotubes: two-fluid model”, D. J. Mowbray, Z. L. Mišković, F. O. Goodman, and Y.-N. Wang, Phys. Rev. B 70, 195418 (2004). Times Cited: 69.

“Stability and electronic properties of TiO 2 nanostructures with and without B and N doping”, D. J. Mowbray, J. I. Martinez, J. M. García Lastra, K. S. Thygesen, and K.W. Jacobsen, J. Phys. Chem. C 113, 12301 (2009). Times Cited: 65.

“Ion interactions with carbon nanotubes in dielectric media”, D. J. Mowbray, Z. L. Mišković, and F. O. Goodman, Phys. Rev. B 74, 195435 (2006). Times Cited: 52.

“Density functional theory based screening of novel alkali-transition metal borohydrides: A computational materials design project”, J. S. Hummelshøj, et al. J. Chem. Phys. 131, 014101 (2009). Times Cited: 51.

“Influence of O₂ and N₂ on the conductivity of carbon nanotube networks”, D. J. Mowbray, C. Morgan, and K. S. Thygesen, Phys. Rev. B 79, 195431 (2009). Times Cited: 39.

“Influence of the dynamical image potential on the rainbows in ion channeling through short carbon nanotubes”, D. Borka, S. Petrovć, N. Neškovć, D. J. Mowbray, and Z. L. Mišković, Phys. Rev. A 73, 062902 (2006). Times Cited: 39.

“Plasmon excitations on a single-wall carbon nanotube by external charges: two-dimensional, two-fluid hydrodynamic model”, D. J. Mowbray, S. Segui, J. Gervasoni, Z. L. Mišković, and N. R. Arista, Phys. Rev. B 82, 035405 (2010). Times Cited: 35.

“Supramolecular Ordering and Reactions of a Chlorophenyl Porphyrin on Ag (111)”, RC de Campos Ferreira, A Perez Paz, DJ Mowbray, JY Roulet, R Landers, … The Journal of Physical Chemistry C

“LCAO-TDDFT-k-ω: spectroscopy in the optical limit”, K Lyon, MR Preciado-Rivas, C Zamora-Ledezma, V Despoja, … Journal of Physics: Condensed Matter

“Conductivity models for electron energy loss spectroscopy of graphene in a scanning transmission electron microscope with high energy resolution”, K Lyon, DJ Mowbray, ZL Miskovic. Ultramicroscopy, 113012

“Understanding the Electron-Doping Mechanism in Potassium-Intercalated Single-Walled Carbon Nanotubes”. C Kröckel, MR Preciado-Rivas, VA Torres-Sánchez, DJ Mowbray, … Journal of the American Chemical Society 142 (5), 2327-2337

“Optical absorption and energy loss spectroscopy of single-walled carbon nanotubes”, MR Preciado-Rivas, VA Torres-Sánchez, DJ Mowbray. Physical Review B 100 (23), 235429

“Optical excitations of chlorophyll a and b monomers and dimers”, MR Preciado-Rivas, DJ Mowbray, K Lyon, AH Larsen, BF Milne. The Journal of chemical physics 151 (17), 174102

“Density functional theory calculations of the radial breathing mode in graphene quantum dots”, MO Martínez, ANP Martínez, VMR Tapia, JLC Figueroa, DJ Mowbray, … Journal of Nanophotonics 13 (4), 046011

“Tailoring a molecule’s optical absorbance using surface plasmonics”, DJ Mowbray, V Despoja. The Journal of Physical Chemistry C 123 (43), 26498-26508

“Optical and Energy Loss Spectroscopy of Single-Walled Carbon Nanotubes”, MR Preciado-Rivas, VA Torres-Sánchez, DJ Mowbray. arXiv preprint arXiv:1907.08036

“Optical and Energy Loss Spectroscopy of Single-Walled Carbon Nanotubes”, M Rosa Preciado-Rivas, VA Torres-Sánchez, DJ Mowbray. arXiv preprint arXiv:1907.08036

“Tailoring Organic–Organic Poly (vinylpyrrolidone) Microparticles and Fibers with Multiwalled Carbon Nanotubes for Reinforced Composites”, CP Narvaez-Muñoz, LM Carrion-Matamoros, K Vizuete, A Debut, … ACS Applied Nano Materials 2 (7), 4302-4312

“Roles of Precursor Conformation and Adatoms in Ullmann Coupling: An Inverted Porphyrin on Cu (111)”, JC Moreno-López, DJ Mowbray, A Perez Paz, RC de Campos Ferreira, … Chemistry of Materials 31 (8), 3009-3017

“An Archaeometric Characterization of Ecuadorian Pottery”, A Sánchez-Polo, S Briceño, A Jamett, S Galeas, O Campaña, V Guerrero, … Scientific Reports 9 (1), 1-11