Laura Zoppi

Laura Zoppi, Dr.

Application and extension of DFT based electronic structure approaches for studying excitation properties and charge transport phenomena in materials relevantfor water splitting.

Research Topic

Application and extension of DFT based electronic structure approaches for studying excitation properties and charge transport phenomena in materials relevant for water splitting.

Publications

Zoppi L., A. Ferretti. K. K. Baldridge Tuning Electron Transport through Functionalized C20H10 Molecular Junctions J. Chem. Theory Comput., 2015, 11, 4900-4910.

Dutta A. K., Linden A., Zoppi L., Baldridge K. K. and Siegel J. S. Extended Corannulenes: Aromatic Bowl/Sheet Hybridization Angew.Chem. Int. Ed., 2015, 54,10792 –10796.

Ernst K.-H., Baumann S., Lutz C. P., Seibel J., Zoppi L., Heinrich A. J. Pasteur’s Experiment Performed at the Nanoscale: Manual Separation of Chiral Molecules, One by One Nano Lett., 2015, 15, 5388-5392.

Zoppi, L., Martin-Samos, L., Baldridge, K. K. C20H10 Superatom States: A route for electron transport ? Phys. Chem. Chem. Phys., 2015, 17, 6114-6121.

Lu, R.-Q.; Zhou, Y.-N.; Yan, X.-Y.; Shi, K.; Zheng, Y.-Q.; Luo, M.; Wang, X.-C.; Pei, J.; Butterfield, A. M.; Zoppi L., Baldridge K. K. and Siegel J. S., Cao X.-Y. Thiophene-fused bowl-shaped polycyclic aromatics with a dibenzo[a,g]corannulene core for organic field-effect transistors. Chem. Comm., 2015, 51, 1681-1684.

Lu R.-Q., Zheng Y.-Q., Zhou Y.-N., Yan X.-Y., Lei T., Shi K., Zhou Y., Pei J., Butterfield A. M., Zoppi L., Baldridge K. K., Siegel J. S., Cao X.-Y. Corannulene Derivatives as Non-Fullerene Acceptor in Solution-Processed Bulk Heterojunction Solar Cells Journal of Materials Chemistry A, 2014, 2, 20515-20519.

Seibel J., Zoppi L., Parschau M., K-H. Ernst 2D conglomerate crystallization of heptahelicene Chem. Commun., 2014, 50, 8751-8753.

Zoppi, L.; Martin-Samos, L.; Baldridge, K. K. Structure–Property Relationships of Curved Aromatic Materials from First Principles. Accounts of Chemical Research (Invited mini-review), 2014, 47, 3310–3320.

Bauert T., Zoppi L., Koller G., Siegel J. S., Baldridge K. K., K.-H. Ernst Quadruple Anionic Buckybowls by Solid-State Chemistry of Corannulene and Cesium. J. Am. Chem. Soc., 2013, 135, 12857–12860

Zoppi L., Ferretti A, K. K. Baldridge Static and Field-Oriented Properties of Bowl-Shaped Polynuclear Aromatic Hydrocarbon Fragments. J. Chem. Theory Comput. 2013, 9, 4797−4804

Zoppi, L.; Siegel, J. S.; Baldridge, K. K. Electron transport and optical properties of curved aromatics. WIREs Comput Mol Sci 2013, 3, 1-12.

Zoppi, L.; Bauert, T.; Siegel, J. S.; Baldridge, K. K.; Ernst, K.-H. Pentagonal tiling with buckybowls: pentamethylcorannulene on Cu(111). Phys. Chem. Chem. Phys. 2012, 14, 13365-13369.

Bauert, T.; Zoppi, L.; Koller, G.; Garcia, A.; Baldridge, K. K.; Ernst, K. H. Large interface dipole moments without charge transfer: buckybowls on metal surfaces. J. Phys. Chem. Lett. 2011, 2, 2805-2809.

Zoppi, L.; Martin-Samos, L.; Baldridge, K. K. Effect of Molecular Packing on Corannulene-Based Materials Electroluminescence. J. Am. Chem. Soc. 2011, 133, 14002-14009.

Zoppi, L.; Garcia, A.; Baldridge, K. K. Development of Methods for Computational Analysis of the Binding of Molecules on Metallic Surfaces: Application to Corannulene on Copper Surface. J. Phys. Chem. A 2010, 114, 8864–8872.

Merz, L.; Parschau, M.; Zoppi, L.; Baldridge, K. K.; Siegel, J. S.; Ernst, K. H. Reversible phase transitions in a buckybowl monolayer. Angew. Chem. Int. Ed. 2009, 48, 1966-1969.

Zoppi, L.; Calzolari, A.; Ruini, A.; Ferretti, A.; Caldas, M. J. Defect-induced effects on carrier migration through one-dimensional poly(para-phenylenevinylene) chains. Phys. Rev. B 2008, 78, 165204-1-6.

Zoppi, L.; Peressi, M.; Tosolini, M. Structural properties of free-standing (In,Ga)(As,N) Alloys IEE Proc.-Optoelectronics 2004, 151, 263-266.

Piseri, P.; Barborini, E.; Marino, M.; Milani, P.; Lenardi, C.; Zoppi, L.; L. Colombo Hydrogen uptake in cluster-assembled carbon thin films: experiment and computer simulation. J. Phys. Chem. B 2004, 108, 5157-5160.

Rocchia, W.; Zoppi, L.; Colombo, L. Combined Atomistic and continuum methods to map electric properties of nanostructured carbon films. Comp. Mat. Sci. 2004, 30, 150-154.

Zoppi, L.; Colombo, L.; Donadio, D. Structural characterization of nanostructured a-C:H films. Eur. J. Phys. B 2002, 27, 335-340.