P
Poulumi Dey
Researcher at Delft University of Technology
Publications - 34
Citations - 378
Poulumi Dey is an academic researcher from Delft University of Technology. The author has contributed to research in topics: Chemistry & Hydrogen. The author has an hindex of 6, co-authored 24 publications receiving 186 citations. Previous affiliations of Poulumi Dey include Indian Institute of Technology Guwahati & Max Planck Society.
Papers
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Journal ArticleDOI
Combined atom probe tomography and density functional theory investigation of the Al off-stoichiometry of κ-carbides in an austenitic Fe–Mn–Al–C low density steel
Mengji Yao,Poulumi Dey,Jae Bok Seol,Pyuck-Pa Choi,Michael Herbig,Ross K. W. Marceau,Tilmann Hickel,Jörg Neugebauer,Dierk Raabe +8 more
TL;DR: In this article, the off-stoichiometry and site-occupancy of κ-carbide precipitates within an austenitic (γ), Fe-29.8Mn-7.7Al-1.3C (wt.%) alloy were investigated using a combination of atom probe tomography and density functional theory.
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Efficient hydrogen storage in defective graphene and its mechanical stability : A combined density functional theory and molecular dynamics simulation study
Gagus Ketut Sunnardianto,Gagus Ketut Sunnardianto,G.B. Bokas,Abdelrahman Hussein,Carey L. Walters,Othonas A. Moultos,Poulumi Dey +6 more
TL;DR: In this paper, a combined density functional theory and molecular dynamics approach is employed to study modifications of graphene at atomistic level for better H2 storage, and the study reveals H2 desorption from hydrogenated defective graphene structure, V222, to be exothermic.
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Ab initio explanation of disorder and off-stoichiometry in Fe-Mn-Al-C κ carbides
Poulumi Dey,Roman Nazarov,Roman Nazarov,Biswanath Dutta,Mengji Yao,Michael Herbig,Martin Friák,Tilmann Hickel,Dierk Raabe,Jörg Neugebauer +9 more
TL;DR: In this article, the authors focused on Fe-Mn-Al-C steels and determined the composition of the nanosized carbides by atom probe tomography in comparison to larger precipitates located in grain boundaries.
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Reversible Hydrogen Storage in Metal-Decorated Honeycomb Borophene Oxide
TL;DR: Li et al. as discussed by the authors investigated the suitability of Li, Na, and K decorations on 2D honeycomb borophene oxide (B2O) for H2 storage, using dispersion corrected density functional theory.
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The Role of κ-Carbides as Hydrogen Traps in High-Mn Steels
Tobias A. Timmerscheidt,Poulumi Dey,Dimitri Bogdanovski,Jörg von Appen,Tilmann Hickel,Jörg Neugebauer,Richard Dronskowski +6 more
TL;DR: In this paper, the role of Al-based precipitates is investigated to understand the relevance of short-range ordering effects, and the interplay of these effects, evident in the trapping energies at various locations and dependent on the H concentration, can be expressed mathematically.