Universal strategy for Ohmic hole injection into organic semiconductors with high ionization energies NB Kotadiya, H Lu, A Mondal, Y Ie, D Andrienko, PWM Blom, ... Nature materials 17 (4), 329-334, 2018 | 205 | 2018 |
A window to trap-free charge transport in organic semiconducting thin films NB Kotadiya, A Mondal, PWM Blom, D Andrienko, GJAH Wetzelaer Nature materials 18 (11), 1182-1186, 2019 | 157 | 2019 |
Unicolored phosphor-sensitized fluorescence for efficient and stable blue OLEDs P Heimel, A Mondal, F May, W Kowalsky, C Lennartz, D Andrienko, ... Nature communications 9 (1), 4990, 2018 | 132 | 2018 |
Quantitative prediction of physical properties of imidazolium based room temperature ionic liquids through determination of condensed phase site charges: A refined force field A Mondal, S Balasubramanian The Journal of Physical Chemistry B 118 (12), 3409-3422, 2014 | 123 | 2014 |
Electron trapping in conjugated polymers D Abbaszadeh, A Kunz, NB Kotadiya, A Mondal, D Andrienko, JJ Michels, ... Chemistry of Materials 31 (17), 6380-6386, 2019 | 98 | 2019 |
Understanding SO2 Capture by Ionic Liquids A Mondal, S Balasubramanian The Journal of Physical Chemistry B 120 (19), 4457-4466, 2016 | 58 | 2016 |
Dissolution of cellulose in room temperature ionic liquids: anion dependence RS Payal, KK Bejagam, A Mondal, S Balasubramanian The Journal of Physical Chemistry B 119 (4), 1654-1659, 2015 | 57 | 2015 |
Recent advances in modeling green solvents S Das, A Mondal, S Balasubramanian Current opinion in green and sustainable chemistry 5, 37-43, 2017 | 53 | 2017 |
A refined all-atom potential for imidazolium-based room temperature ionic liquids: acetate, dicyanamide, and thiocyanate anions A Mondal, S Balasubramanian The Journal of Physical Chemistry B 119 (34), 11041-11051, 2015 | 43 | 2015 |
Atomistic simulations of ammonium-based protic ionic liquids: steric effects on structure, low frequency vibrational modes and electrical conductivity AP Sunda, A Mondal, S Balasubramanian Physical Chemistry Chemical Physics 17 (6), 4625-4633, 2015 | 41 | 2015 |
Rigorous characterization and predictive modeling of hole transport in amorphous organic semiconductors NB Kotadiya, A Mondal, S Xiong, PWM Blom, D Andrienko, ... Advanced Electronic Materials 4 (12), 1800366, 2018 | 38 | 2018 |
A molecular dynamics study of collective transport properties of imidazolium-based room-temperature ionic liquids A Mondal, S Balasubramanian Journal of Chemical & Engineering Data 59 (10), 3061-3068, 2014 | 38 | 2014 |
Self‐Organization and Charge Transport Properties of Selenium and Tellurium Analogues of Polythiophene S Ye, L Janasz, W Zajaczkowski, JG Manion, A Mondal, T Marszalek, ... Macromolecular Rapid Communications 40 (1), 1800596, 2019 | 26 | 2019 |
Molecular library of OLED host materials—Evaluating the multiscale simulation workflow A Mondal, L Paterson, J Cho, KH Lin, B van der Zee, GJAH Wetzelaer, ... Chemical Physics Reviews 2 (3), 2021 | 25 | 2021 |
Vibrational signatures of cation–anion hydrogen bonding in ionic liquids: a periodic density functional theory and molecular dynamics study A Mondal, S Balasubramanian The Journal of Physical Chemistry B 119 (5), 1994-2002, 2015 | 23 | 2015 |
Perspectives of Unicolored Phosphor‐Sensitized Fluorescence L Paterson, A Mondal, P Heimel, R Lovrincic, F May, C Lennartz, ... Advanced Electronic Materials 5 (12), 1900646, 2019 | 21 | 2019 |
Modeling chemical reactions in alkali carbonate–hydroxide electrolytes with deep learning potentials A Mondal, D Kussainova, S Yue, AZ Panagiotopoulos Journal of Chemical Theory and Computation 19 (14), 4584-4595, 2022 | 18 | 2022 |
Genetic algorithm driven force field parameterization for molten alkali-metal carbonate and hydroxide salts A Mondal, JM Young, TA Barckholtz, G Kiss, L Koziol, ... Journal of Chemical Theory and Computation 16 (9), 5736-5746, 2020 | 18 | 2020 |
Charge environment and hydrogen bond dynamics in binary ionic liquid mixtures: A computational study NVS Avula, A Mondal, S Balasubramanian The Journal of Physical Chemistry Letters 9 (12), 3511-3516, 2018 | 16 | 2018 |
Intermolecular structure in tri-n-butyl phosphate/n-octane mixtures: a molecular dynamics simulation study A Mondal, S Balasubramanian Current Science, 1235-1242, 2014 | 15 | 2014 |