| Cost-Effective Approach for Modeling of Multiresonant Thermally Activated Delayed Fluorescence Emitters Sanyam, R Khatua, A Mondal Journal of Chemical Theory and Computation 19 (24), 9290-9301, 2023 | 8 | 2023 |
| Rational design of non-fullerene acceptors via side-chain and terminal group engineering: a computational study R Khatua, B Das, A Mondal Physical Chemistry Chemical Physics 25 (11), 7994-8004, 2023 | 8 | 2023 |
| Anisotropic charge transport and optoelectronic properties of wide band gap organic semiconductors based on biphenyl derivatives: A computational study R Khatua, SR Sahoo, S Sharma, S Sahu Synthetic Metals 267, 116474, 2020 | 7 | 2020 |
| Computational characterization of N-type characteristics and optoelectronic properties in air-stable pyromellitic diimide derivatives R Khatua, S Debata, S Sahu New Journal of Chemistry 44 (20), 8412-8421, 2020 | 7 | 2020 |
| Ethanol formation via CO2 electroreduction at low overvoltage over exposed (111) plane of CuO thin film S Dhakar, J Nama, V Kumari, R Khatua, A Mondal, S Sharma Electrochimica Acta 441, 141791, 2023 | 6 | 2023 |
| Constructing Multiresonance Thermally Activated Delayed Fluorescence Emitters for Organic LEDs: A Computational Investigation Sanyam, R Khatua, A Mondal The Journal of Physical Chemistry A 127 (49), 10393-10405, 2023 | 5 | 2023 |
| Rational design and crystal structure prediction of ring-fused double-PDI compounds as n-channel organic semiconductors: a DFT study S Debata, SR Sahoo, R Khatua, S Sahu Physical Chemistry Chemical Physics 23 (21), 12329-12339, 2021 | 5 | 2021 |
| Anisotropic charge transport properties of chrysene derivatives as organic semiconductor: A computational study R Khatua, SR Sahoo, S Sharma, R Thangavel, S Sahu Journal of Physical Organic Chemistry 31 (10), e3859, 2018 | 5 | 2018 |
| Synergistic effects of side-functionalization and aza-substitution on the charge transport and optical properties of perylene-based organic materials: a DFT study S Debata, R Khatua, S Sahu New Journal of Chemistry 46 (21), 10402-10414, 2022 | 4 | 2022 |
| Unveiling symmetry: a comparative analysis of asymmetric and symmetric non-fullerene acceptors in organic solar cells R Khatua, A Mondal Journal of Materials Chemistry C, 2024 | 3 | 2024 |
| Design and screening of B–N functionalized non-fullerene acceptors for organic solar cells via multiscale computation R Khatua, A Mondal Materials Advances 4 (19), 4425-4435, 2023 | 3 | 2023 |
| Exploring structure–property landscape of non-fullerene acceptors for organic solar cells K Patel, R Khatua, K Patrikar, A Mondal The Journal of Chemical Physics 160 (14), 2024 | 2 | 2024 |
| Computational study of electron transport in halogen incorporated diindenotetracene compounds: crystal structure, charge transport and optoelectronic properties R Khatua, S Debata, S Sahu Physical Chemistry Chemical Physics 24 (21), 13256-13265, 2022 | 2 | 2022 |
| Theoretical study on charge transport properties of high mobility n-channel organic semiconductor-hexachloro-hexa-azatrinaphthylene R Khatua, S Debata, S Sahu Materials Today: Proceedings 46, 6415-6418, 2021 | 1 | 2021 |
| Anisotropic charge transport in 7, 10-diphenyl-8, 9-diazafluoranthene as n-type organic semiconductor: A DFT study R Khatua, S Sahu AIP Conference Proceedings 2100 (1), 2019 | 1 | 2019 |
| From Molecules to Devices: A Multiscale Approach to Evaluating Organic Photovoltaics K Patrikar, K Patadia, R Khatua, A Mondal Journal of Chemical Theory and Computation, 2024 | | 2024 |
| Physics-Informed Machine Learning with Data-Driven Equations for Predicting Organic Solar Cell Performance R Khatua, B Das, A Mondal ACS Applied Materials & Interfaces, 2024 | | 2024 |
| Theoretical study of linear and non-linear optical properties of small CaCn (n= 2–7) clusters RK Sahoo, R Khatua, S Sahu Materials Today: Proceedings 66, 3397-3400, 2022 | | 2022 |
| Optoelectronic and Charge Transport Properties of Air-stable Phenanthrene Derivatives: Effects of Functionalized Groups and Atoms R Khatua SPAST Abstracts 1 (01), 2021 | | 2021 |
| Anisotropic charge transport property in air-stable 5, 5’-bis (pyren-2-yl)-2, 2’-bithiophene crystal: Theoretical study S Debata, R Khatua, S Sahu AIP Conference Proceedings 2265 (1), 2020 | | 2020 |
Smruti Ranjan SahooPost Doctoral Reseacher; Department of Physics and Astronomy,Uppsala University, SwedenVerified email at physics.uu.se