Teobaldi, Gilberto - University of Liverpool

个人简介

I obtained my BSc, MSc (2001), and PhD (2005) in Chemistry in Bologna. I worked as research associate at the Surface Science Research Centre (University of Liverpool, UK: 2005-2009), and at the Institute for Scientific and Industrial Research (Osaka University, Japan: 2009-2010) in collaboration with the Department of Physics and Astronomy of University College London (UCL, London, UK). In 2010 I was awarded a five-year EPSRC-UK Career Acceleration Fellowship (CAF) at the Department of Chemistry of the University of Liverpool. I currently hold a Senior Lectureship at the Stephenson Institute for Renewable Energy, Department of Chemistry. My research is focused on the development and application of computational methods for fundamental research in energy and functional interfaces. Career Acceleration Fellowship (Competitive Fellowship, EPSRC UK 2010) Coordinator for Stephenson Institute for Renewable Energy seminars Coordinator for 2nd year of Chemistry Degree

研究领域

So far, I have been involved in a rather diversified range of activities spanning (Computational) Materials Science, Theoretical Chemistry and Surface Science. More specifically, my scientific interests are: • The development and application of both first principle and molecular mechanics methods to model the properties of functionalized surfaces • The simulation of Scanning Probe Microscopy Images: STM, STS, IETS, and AFM • Macromolecular antenna systems and light-driven molecular motors • Metal-oxide interfaces and their significance for (photo-)catalytic applications • Defects in graphene-based materials • Inorganic nanotubes and their potential as novel (photo-)catalysts

近期论文

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Chemically Selective Alternatives to Photoferroelectrics for Polarization-Enhanced Photocatalysis: The Untapped Potential of Hybrid Inorganic Nanotubes Inapplicability of exact constraints and a minimal two-parameter generalization to the DFT plus U based correction of self-interaction error Optimization of constrained density functional theory Supercell convergence of charge-transfer energies in pentacene molecular crystals from constrained DFT The application of linear-scaling Density Functional Theory to large metal oxide nanotubes The potential of imogolite nanotubes as (co-)photocatalysts: a linear-scaling density functional theory study Variation in surface energy and reduction drive of a metal oxide lithium-ion anode with stoichiometry: a DFT study of lithium titanate spinel surfaces (Sub)surface-Promoted Disproportionation and Absolute Band Alignment in High-Power LiMn2O4 Cathodes Beating the Stoner criterion using molecular interfaces Density functional theory screening of gas-treatment strategies for stabilization of high energy-density lithium metal anodes Large-scale density functional theory simulation of inorganic nanotubes: a case study on Imogolite nanotubes What is the orientation of the tip in a scanning tunneling microscope? Contrast stability and 'stripe' formation in scanning tunnelling microscopy imaging of highly oriented pyrolytic graphite: the role of STM-tip orientations Spin-polarized electron transfer in ferromagnet/C-60 interfaces Subspace-corrected functionals for linear-scaling density functional theory simulation of extended energy storage interfaces Role of applied bias and tip electronic structure in the scanning tunneling microscopy imaging of highly oriented pyrolytic graphite Scanning Tunneling Microscopy Contrast Mechanisms for Chemical Resolution at Ionic Crystal Surfaces Using Dynamic Atomic Force Microscopy with Metallic Tips Polymorphism and isomerisation of an azobenzene derivative on gold The effect of temperature on the internal dynamics of dansylated POPAM dendrimers Electron traps and their effect on the surface chemistry of TiO2(110) Internal Dynamics and Energy Transfer in Dansylated POPAM Dendrimers and Their Eosin Complexes Structure and properties of surface and subsurface defects in graphite accounting for van der Waals and spin-polarization effects The effect of van der Waals interactions on the properties of intrinsic defects in graphite Theory of Scanning Tunneling Microscopy and Applications in Catalysis. In Scanning Tunneling Microscopy in Surface Science, Nanoscience and Catalysis