Publications of the Atomistic Modelling GroupThis list consists only of publications since the formation of the group "Atomistic Modelling of Material Interfaces". If you click on an author's name, you will be directed to the authors complete MPS publication list.

Publications of Simantini Nayak

Journal Article (7)

1.
Journal Article
Nayak, S.; Biedermann, P. U.; Erbe, A.: Superoxide intermediate in the oxygen reduction on a zinc hydroxide model corrosion product. The Journal of Chemical Physics 157, 224702 (2022)
2.
Journal Article
Niu, F.; Rabe, M.; Nayak, S.; Erbe, A.: Vibrational spectroscopic study of pH dependent solvation at a Ge(100)-water interface during an electrode potential triggered surface termination transition. The Journal of Chemical Physics 148, 222824 (2018)
3.
Journal Article
Sriram, K. K.; Nayak, S.; Pengel, S.; Chou, C.-F.; Erbe, A.: 10 nm deep, sub-nanoliter fluidic nanochannels on germanium for attenuated total reflection infrared (ATR-IR) spectroscopy. Analyst 142 (2), pp. 273 - 278 (2017)
4.
Journal Article
Nayak, S.; Erbe, A.: Mechanism of the potential-triggered surface transformation of germanium in acidic medium studied by ATR-IR spectroscopy. Physical Chemistry Chemical Physics 18, pp. 25100 - 25109 (2016)
5.
Journal Article
Beese-Vasbender, P. F.; Nayak, S.; Erbe, A.; Stratmann, M.; Mayrhofer, K. J. J.: Electrochemical characterization of direct electron uptake in electrical microbially influenced corrosion of iron by the lithoautotrophic SRB Desulfopila corrodens strain IS4. Electrochimica Acta 167, pp. 321 - 329 (2015)
6.
Journal Article
Nayak, S.; Biedermann, P. U.; Stratmann, M.; Erbe, A.: In situ infrared spectroscopic investigation of intermediates in the electrochemical oxygen reduction on n-Ge(100) in alkaline perchlorate and chloride electrolyte. Electrochimica Acta 106, pp. 472 - 482 (2013)
7.
Journal Article
Nayak, S.; Biedermann, P. U.; Stratmann, M.; Erbe, A.: A mechanistic study of the electrochemical oxygen reduction on the model semiconductor n-Ge(100) by ATR-IR and DFT. Physical Chemistry Chemical Physics 15 (16), pp. 5771 - 5781 (2013)

Book Chapter (1)

8.
Book Chapter
Erbe, A.; Nayak, S.; Chen, Y.-H.; Niu, F.; Pander, M.; Tecklenburg, S.; Toparli, C.: How to probe structure, kinetics and dynamics at complex interfaces in situ and operando by optical spectroscopy. In: Encyclopedia of Interfacial Chemistry: Surface Science and Electrochemistry; part of "Reference Module in Chemistry, Molecular Sciences and Chemical Engineering", pp. 199 - 219 (Ed. Wandelt, K.). Elsevier, Waltham, MA, USA (2017)

Conference Paper (2)

9.
Conference Paper
Pengel, S.; Niu, F.; Nayak, S.; Tecklenburg, S.; Chen, Y.-H.; Ebbinghaus, P.; Schulz, R.; Yang, L.; Biedermann, P. U.; Gygi, F. et al.; Schmid, R.; Galli, G.; Wippermann, S. M.; Erbe, A.: Oxygen reduction and water at the semiconductor/solution interface probed by stationary and time-resolved ATR-IR spectroscopy coupled to electrochemical experiments and DFT calculations. In: Program of the 8th International Conference on Advanced Vibrational Spectroscopy (ICAVS) – Oral Abstracts, pp. 130 - 131 (Eds. Lendl, B.; Koch, C.; Kraft, M.; Ofner, J.; Ramer, G.). 8th International Conference on Advanced Vibrational Spectroscopy (ICAVS), Vienna, Austria, July 12, 2015 - July 17, 2015. (2015)
10.
Conference Paper
Pengel, S.; Schönberger, B.; Nayak, S.; Erbe, A.: Attenuated Total Reflection Mid-IR-spectroscopy for Electrochemical Applications using a QCL. In: Lasers, Sources, and Related Photonic Devices Technical Digest. Laser Applications to Chemical, Security and Environmental Analysis (LACSEA), Rancho Bernardo Inn, San Diego, CA, USA, January 29, 2012 - January 30, 2012. Optical Society of America, 2012 (2012)

Talk (7)

11.
Talk
Biedermann, P. U.; Nayak, S.; Erbe, A.: The Mechanism of Electrochemical Oxygen Reduction: A Combined DFT and in-Situ ATR-IR Study on Model Semiconductor Surfaces Ge(100) and ZnO. 227th ECS Meeting, Chicago, IL, USA (2015)
12.
Talk
Beese-Vasbender, P. F.; Nayak, S.; Garrelfs, J.; Erbe, A.; Widdel, F.; Stratmann, M.; Mayrhofer, K. J. J.: Outer membrane associated redox active components in lithotrophic SRB trigger direct electron transfer during anaerobic electrical MIC. Eurocorr 2014, Pisa, Italy (2014)
13.
Talk
Beese-Vasbender, P. F.; Nayak, S.; Garrelfs, J.; Erbe, A.; Widdel, F.; Stratmann, M.; Mayrhofer, K. J. J.: Direct electron uptake by sulfate-reducing bacteria in microbial corrosion of iron. Gordon Research Seminar, Corrosion - Aqueous, New London, NH, USA (2014)
14.
Talk
Biedermann, P. U.; Nayak, S.; Erbe, A.: Catching intermediates of the oxygen reduction reaction in situ: Insights from electrochemical ATIR-IR and DFT. 112th Bunsentagung (Annual German Conference on Physical Chemistry), Karlsruhe Institute of Technology (KIT), Karlsruhe, Germany (2013)
15.
Talk
Nayak, S.; Chia-Fu, C.; Erbe, A.: ATR-IR spectroscopic study of H2O and D2O in one-dimensional confinement. 112th Bunsentagung (Annual German Conference on Physical Chemistry), Karlsruhe Institute of Technology (KIT), Karlsruhe, Germany (2013)
16.
Talk
Biedermann, P. U.; Nayak, S.; Erbe, A.: Towards Understanding the Mechanism of the Electrochemical Oxygen Reduction: DFT Modeling and Spectroelectrochemical Validation. Pacific Rim Meeting on Electrochemical and Solid-State Science PRIME 2012 / ECS 222, Honolulu, HI, USA (2012)
17.
Talk
Nayak, S.; Biedermann, P. U.; Stratmann, M.; Erbe, A.: In situ Electrochemical ATR-IR Investigation of the Oxygen Reduction on Germanium. 62nd Annual Meeting of the International Society of Electrochemistry, Niigata, Japan (2011)

Poster (6)

18.
Poster
Beese-Vasbender, P. F.; Nayak, S.; Garrelfs, J.; Erbe, A.; Widdel, F.; Stratmann, M.; Mayrhofer, K. J. J.: Direct electron uptake by sulfate-reducing bacteria in microbial corrosion of iron. Gordon Research Conference, Corrosion - Aqueous, New London, NH, USA (2014)
19.
Poster
Beese-Vasbender, P. F.; Nayak, S.; Erbe, A.; Mayrhofer, K. J. J.; Stratmann, M.; Widdel, F.: Cathodes as the sole electron donors in cultures of corrosive SRB. Reservoir Microbiology Forum, London, UK (2013)
20.
Poster
Nayak, S.; Biedermann, P. U.; Chakraborty, S.; Schmid, R.; Erbe, A.: Electrode potential dependent transformation of germanium/electrolyte interface in acidic medium: In-situ electrochemical ATR-IR and DFT. 112th Bunsentagung (Annual German Conference on Physical Chemistry), Karlsruhe Institute of Technology (KIT), Karlsruhe, Germany (2013)
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