| 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 | 45 | 2021 |
| 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 |
| 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 |
| 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 |
| 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 |
| Thermodynamic and Transport Properties of H2/H2O/NaB(OH)4 Mixtures Using the Delft Force Field (DFF/B(OH)4–) P Habibi, JRT Postma, JT Padding, P Dey, TJH Vlugt, OA Moultos Industrial & Engineering Chemistry Research 62 (30), 11992-12005, 2023 | 5 | 2023 |
| Coupling mesoscale transport to catalytic surface reactions in a hybrid model R Fan, P Habibi, JT Padding, R Hartkamp The Journal of Chemical Physics 156 (8), 2022 | 3 | 2022 |
| Solubilities and Self-Diffusion Coefficients of Light n-Alkanes in NaCl Solutions at the Temperature Range (278.15–308.15) K and Pressure Range (1–300) bar and … B Fang, P Habibi, OA Moultos, T Lü, F Ning, TJH Vlugt Journal of Chemical & Engineering Data, 2023 | 2 | 2023 |
| Accurate Free Energies of Aqueous Electrolyte Solutions from Molecular Simulations with Non-polarizable Force Fields P Habibi, HM Polat, S Blazquez, C Vega, P Dey, TJH Vlugt, OA Moultos The Journal of Physical Chemistry Letters 15, 4477-4485, 2024 | | 2024 |
| A New Force Field for B(OH)4- for Computing the Ionic Diffusivities and Thermodynamic Properties of H2 in Aqueous Nab(OH)4 Solutions P Habibi, TJH Vlugt, OA Moultos, P Dey, JT Padding, JRT Postma 2023 AIChE Annual Meeting, 2023 | | 2023 |
| Supporting Information: Interfacial tensions, solubilities, and transport properties of the H 2/H 2 O/NaCl system: A molecular simulation study WA van Rooijen, P Habibi, K Xu, P Dey, TJH Vlugt, H Hajibeygi, ... | | |
| Supporting Information: A New Force Field for OH–for Computing Thermodynamic and Transport Properties of H 2 and O P Habibi, A Rahbari, S Blazquez, C Vega, P Dey, TJH Vlugt, OA Moultos | | |
| Hydrogen Dissociation in Li-Decorated 2d Boron Hydride And Borophene: An Ab-Initio Study P Habibi, THG Saji, TJH Vlugt, OA Moultos, P Dey Available at SSRN 4120897, 0 | | |
Thijs VlugtProfessor and Chair Engineering ThermodynamicsBestätigte E-Mail-Adresse bei tudelft.nl
