| 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 MJ Yao, P Dey, JB Seol, P Choi, M Herbig, RKW Marceau, T Hickel, ... Acta Materialia 106, 229-238, 2016 | 106 | 2016 |
| Reversible hydrogen storage in metal-decorated honeycomb borophene oxide P Habibi, TJH Vlugt, P Dey, OA Moultos ACS Applied Materials & Interfaces 13 (36), 43233-43240, 2021 | 44 | 2021 |
| Efficient hydrogen storage in defective graphene and its mechanical stability: A combined density functional theory and molecular dynamics simulation study GK Sunnardianto, G Bokas, A Hussein, C Walters, OA Moultos, P Dey International journal of Hydrogen energy 46 (7), 5485-5494, 2021 | 40 | 2021 |
| The effect of hydrogen content and yield strength on the distribution of hydrogen in steel: a diffusion coupled micromechanical FEM study A Hussein, AHM Krom, P Dey, GK Sunnardianto, OA Moultos, CL Walters Acta Materialia 209, 116799, 2021 | 38 | 2021 |
| Ab initio explanation of disorder and off-stoichiometry in Fe-Mn-Al-C kappa carbides P Dey, R Nazarov, B Dutta, MJ Yao, M Herbig, M Friák, T Hickel, D Raabe, ... Physical Review B 95, 104108, 2017 | 38 | 2017 |
| The role of κ-carbides as hydrogen traps in high-Mn steels TA Timmerscheidt, P Dey, D Bogdanovski, J Von Appen, T Hickel, ... Metals 7 (7), 264, 2017 | 36 | 2017 |
| Interfacial Tensions, Solubilities, and Transport Properties of the H2/H2O/NaCl System: A Molecular Simulation Study WA Van Rooijen, P Habibi, K Xu, P Dey, TJH Vlugt, H Hajibeygi, ... Journal of Chemical & Engineering Data, 2023 | 31 | 2023 |
| Tetragonal fcc-Fe induced by -carbide precipitates: Atomic scale insights from correlative electron microscopy, atom probe tomography, and density functional theory CH Liebscher, M Yao, P Dey, M Lipińska-Chwalek, B Berkels, B Gault, ... Physical Review Materials 2 (2), 023804, 2018 | 31 | 2018 |
| A New Force Field for OH– for Computing Thermodynamic and Transport Properties of H2 and O2 in Aqueous NaOH and KOH Solutions P Habibi, A Rahbari, S Blazquez, C Vega, P Dey, TJH Vlugt, OA Moultos The Journal of Physical Chemistry B 126 (45), 9376-9387, 2022 | 21 | 2022 |
| Tailoring nanostructured NbCoSn-based thermoelectric materials via crystallization of an amorphous precursor C Jung, B Dutta, P Dey, S Jeon, S Han, HM Lee, JS Park, SH Yi, PP Choi Nano Energy 80, 105518, 2021 | 20 | 2021 |
| Asphaltene aggregation in aqueous solution using different water models: A classical molecular dynamics study AK Vatti, A Caratsch, S Sarkar, LK Kundarapu, S Gadag, UY Nayak, ... ACS omega 5 (27), 16530-16536, 2020 | 17 | 2020 |
| Random forest incorporating ab-initio calculations for corrosion rate prediction with small sample Al alloys data Y Ji, N Li, Z Cheng, X Fu, M Ao, M Li, X Sun, T Chowwanonthapunya, ... npj Materials Degradation 6 (1), 83, 2022 | 15 | 2022 |
| Atomistic investigations of polymer-doxorubicin-CNT compatibility for targeted cancer treatment: A molecular dynamics study A Kamath, A Laha, S Pandiyan, S Aswath, AK Vatti, P Dey Journal of Molecular Liquids 348, 118005, 2022 | 15 | 2022 |
| Role of ionic liquid in asphaltene dissolution: a combined experimental and molecular dynamics study AK Vatti, P Dey, S Acharya, LK Kundarapu, SK Puttapati Energy & Fuels 36 (16), 9111-9120, 2022 | 14 | 2022 |
| Combined experimental and molecular dynamics investigation of 1D rod-like asphaltene aggregation in toluene-hexane mixture LK Kundarapu, S Choudhury, S Acharya, AK Vatti, S Pandiyan, S Gadag, ... Journal of Molecular Liquids 339, 116812, 2021 | 11 | 2021 |
| Decisive role of interstitial defects in half-Heusler semiconductors: An ab initio study P Dey, B Dutta Physical Review Materials 5 (3), 035407, 2021 | 11 | 2021 |
| Role of disorder in inducing a BCS–BEC crossover P Dey, S Basu Journal of Physics: Condensed Matter 20 (48), 485205, 2008 | 11 | 2008 |
| Hydrogen dissociation in Li-decorated borophene and borophene hydride: An ab-initio study P Habibi, THG Saji, TJH Vlugt, OA Moultos, P Dey Applied Surface Science 603, 154323, 2022 | 9 | 2022 |
| New insights into hydrogen trapping and embrittlement in high strength aluminum alloys M Safyari, N Khossossi, T Meisel, P Dey, T Prohaska, M Moshtaghi Corrosion Science 223, 111453, 2023 | 8 | 2023 |
| Computation of electrical conductivities of aqueous electrolyte solutions: Two surfaces, one property S Blazquez, JLF Abascal, J Lagerweij, P Habibi, P Dey, TJH Vlugt, ... Journal of chemical theory and computation 19 (16), 5380-5393, 2023 | 8 | 2023 |
Dr. Michael HerbigMax-Planck-Insittut für Eisenforschung確認したメール アドレス: mpie.de
