Sylwia Ptasinska

Sylwia Ptasinska

Maria Curie-Sklodowska University, Poland. M.Sc. (2001)
Leopold-Franzens-University, Austria. Ph.D. (2004)
Leopold-Franzens-University, Austria. Habilitation (2011)

view Dr. Ptasinska's webpage

Phone: (574) 631-2819
Email: sptasins@nd.edu
Office: 101 Radiation Research Building

Physical and Chemical Processes in Biosystems and on Semiconductor Surfaces


Scientific Interests

Heterogeneous Processes on Surfaces

Photoelectron spectroscopy, electronic and chemical structures, water/semiconductor interfaces

Non-Thermal Plasma Radiation

Plasma diagnosis, plasma reactive species, plasma effects on molecular systems

Low-Energy Electron Interactions

Dissociative electron attachment, electron ionization, mass spectrometry

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Recent Accomplishments

Toward A Realistic Description of Oxidized Solid/Liquid Interfaces

Ptasinska Nov 2018

We integrated computational-experimental approach for understanding chemistry at complex solid-liquid interfaces. Ambient-pressure X-ray Photoelectric Spectroscopy (XPS) and high-level first-principles methods were employed to understand the specific relationship between surface chemistry and key electronic (e.g., band edge) and spectroscopic (e.g., XPS) features at the H2O and InP(100) or GaP(100) interfaces. Combination of ambient–pressure XPS, band edge measurements, and the theoretical calculations was used to deduce that dissociated and non-dissociated adsorbed water coexist on the GaP and InP surfaces, altering surface dipolar properties. We provided the link between interfacial electronic properties and local chemistry, which is necessary for devising meaningful strategies to improve photoelectrochemical cell’s performance and durability.

Ring opening in five-membered rings induced by gentle impact of low energy electrons

Ptasinska Nov 2018 2

Our experimental and computational approaches revealed that the N-O bond on the five-membered ring structure in isoxazole is highly susceptible to DEA. Substitution of the –CH= group of furan with the N atom in isoxazole enhance electron scavenging ability at low electron energies, whereas in furan dissociative electron attachment (DEA) occurs only via core-excited resonances; Our comparative study of isoxazole, 3-methylisoxazole, and 3,5-dimethylisoxazole revealed the fragmentation pathways that lead to each anion product formed due to DEA. Ring opening patterns can be induced by DEA to isoxazole. The most dominant fragmentation pathway that formed an [isoxazole-H] anion via hydrogen loss at carbon site (indicated by * on the picture) was initiated by the lowest shape resonance state and led to ring opening. With the assistance of quantum chemistry calculations, several reaction pathways also were considered and justified by calculating the enthalpies of reactions; Upon DEA, oxazole, which is an isomer of isoxazole, and thiazole in which the oxygen is replaced by sulfur, also exhibited ring opening. Both compounds showed similar fragmentation patterns through corresponding bonds in both molecules. Five-membered heterocyclic structures, which exist widely in many chemical systems can be easily transformed in various processes involving radiation.

 

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Selected Publications

Pham, T.A., X. Zhang, B.C. Wood, D. Prendergast, S. Ptasinska, T. Ogitsu. "Integrating AB Initio Simulations and X-Ray Photoelectron Spectroscopy: Towards a Realistic Description of Oxidized Solid/Liquid Interfaces." J. Phys. Chem. Lett.. 9(2018): 194-203 link

Milosavljevic, D., Bozanic, S. Sadhu, N. Vukmirovic, R. Dojcilovic, P. Saptoka, W. Huang, J.D. Bozek, Ch. Nicolas, L. Nahon, S. Ptasinska. "Electronic Properties of Free-Standing Surfactant-Capped Lead Halide Perovskite Nanocrystals Isolated in Vacuo." J. Phys. Chem. Lett. 9(2018): 3604-3011. link

Adhikari, E.R., V. Samara, S. Ptasinska. " Influence of O2 or H2O in a Plasma Jet and its Environment on Plasma Electrical and Biochemical Performances. J. Phys. D: Appl Phys. 51(2018): 185202. link

Li, Z., I. Carmichael, S. Ptasinska. "Dissociative Electron Attachment Induced Ring Opening in Five-Membered Heterocyclic Compounds." Phys. Chem. Chem. Phys. 20(2018): 18271-18278. link

Gorfinkiel, J.D., S. Ptasinska. "Electron Scattering from Molecules and Molecular Aggregates of Biological Relevance." J of Phys. B: At, Mol. Opt. Phys. 50(2017): 182001. link

Li, Z., A.R. Milosavljevic, I. Carmichael, S. Ptasinska."Direct Observation and Characterization of Neutral Radicals from a Dissociative Electron Attachment Process." Phys. Rev. Lett. 119(2017): 053402. link 

 

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