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Profil
| Derzeitige Stellung | Post Doc |
|---|---|
| Fachgebiet | Physikalische Chemie von Festkörpern und Oberflächen, Materialcharakterisierung,Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation |
| Keywords | Nanoparticles modelling, Ab-initio calculation, Electrified interface, Oxygen evolution reaction, Heterogeneous catalysis |
Aktuelle Kontaktadresse
| Land | Indien |
|---|---|
| Ort | Kamrup |
| Universität/Institution | Indian Institute of Technology (IIT) Guwahati |
Gastgeber*innen während der Förderung
| Prof. Dr. Alexander A. Auer | Abteilung Molekulare Theorie und Spektroskopie, Max-Planck-Institut für Kohlenforschung, Mülheim an der Ruhr |
|---|---|
| Beginn der ersten Förderung | 01.09.2020 |
Programm(e)
| 2020 | Humboldt-Forschungsstipendien-Programm für Postdocs |
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Publikationen (Auswahl)
| 2022 | Ghosh, Soumen and Bhattacharyya, Kalishankar: Origin of the Failure of Density Functional Theories in Predicting Inverted Singlet--Triplet Gaps. In: The Journal of Physical Chemistry A, 126, 2022, 1378--1385 |
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| 2022 | Kalishankar Bhattacharyya, Alexander A Auer: Oxygen Evolution Reaction Electrocatalysis on Cobalt(oxy)hydroxide: Role of Fe Impurities. In: Journal of Physical Chemistry C, 126, 2022, 18623-18635 |
| 2022 | Yang, Xiuxiu and Reijerse, Edward and Bhattacharyya, Kalishankar and Leutzsch, Markus and Kochius, Markus and Nöthling, Nils and Busch, Julia and Schnegg, Alexander and Auer, Alexander and Cornella, Josep: Radical Activation of Ammonia and Water at Bismuth (II). 2022, |
| 2021 | Schiavo, Eduardo and Bhattacharyya, Kalishankar and Mehring, Michael and Auer, Alexander A: Are Heavy Pnictogen-$\pi$ Interactions Really “$\pi$ Interactions”?. In: Chemistry--A European Journal, 27, 2021, 14520--14526 |
| 2021 | Bhattacharyya, K: Can TDDFT Render the Electronic Excited States Ordering of Azine Derivative? A Closer Investigation with DLPNO-STEOM-CCSD. In: Chemical Physics Letter, 2021, |
| 2021 | Bhattacharyya, K and Poidevin, C and Auer, Alexander A: Structure and Reactivity of IrOx Nanoparticles for the Oxygen Evolution Reaction in Electrocatalysis: An Electronic Structure Theory Study. In: The Journal of physical chemistry C, 2021, |