| First-principles investigation on defect-induced silicene nanoribbons—a superior media for sensing NH3, NO2 and NO gas molecules GK Walia, DKK Randhawa Surface Science 670, 33-43, 2018 | 49 | 2018 |
| Adsorption and dissociation of sulfur-based toxic gas molecules on silicene nanoribbons: a quest for high-performance gas sensors and catalysts GK Walia, DKK Randhawa Journal of molecular modeling 24, 1-8, 2018 | 29 | 2018 |
| Gas-sensing properties of armchair silicene nanoribbons towards carbon-based gases with single-molecule resolution GK Walia, DKK Randhawa Structural Chemistry 29 (6), 1893-1902, 2018 | 28 | 2018 |
| Electronic and transport properties of silicene-based ammonia nanosensors: an ab initio study GK Walia, DKK Randhawa Structural Chemistry 29, 257-265, 2018 | 25 | 2018 |
| Density-functional study of hydrogen cyanide adsorption on silicene nanoribbons GK Walia, DKK Randhawa Journal of Molecular Modeling 24, 1-5, 2018 | 17 | 2018 |
| Rise of silicene and its applications in gas sensing GK Walia, DKK Randhawa, KS Malhi Journal of Molecular Modeling 27, 1-11, 2021 | 16 | 2021 |
| Influence of the pore shape and dimension on the enhancement of thermoelectric performance of graphene nanoribbons S Kaur, SB Narang, DKK Randhawa Journal of Materials Research 32 (6), 1149-1159, 2017 | 14 | 2017 |
| Defective GaAs nanoribbon–based biosensor for lung cancer biomarkers: a DFT study T Tarun, P Singh, H Kaur, GK Walia, DKK Randhawa, BC Choudhary Journal of Molecular Modeling 27 (9), 270, 2021 | 13 | 2021 |
| Analysis of uric acid adsorption on armchair silicene nanoribbons: a DFT study T Tarun, DKK Randhawa, P Singh, BC Choudhary, GK Walia, N Kaur Journal of molecular modeling 26, 1-6, 2020 | 12 | 2020 |
| First principles investigation on armchair zinc oxide nanoribbons as uric acid sensors P Singh, DKK Randhawa, Tarun, BC Choudhary, GK Walia, N Kaur Journal of Molecular Modeling 26, 1-11, 2020 | 11 | 2020 |
| Something more than graphene–futuristic two-dimensional nanomaterials IS Bhatia, DKK Randhawa Current Science 118 (11), 1656-1671, 2020 | 10 | 2020 |
| A brief survey on molecular communications in nanonetworks GK Walia, DKK Randhawa, KS Malhi 2016 International Conference on Computational Techniques in Information and …, 2016 | 8 | 2016 |
| First principles study of sarin nerve gas adsorption on graphene nanoribbon with single molecule resolution H Kaur, DKK Randhawa, M Khosla, RK Sarin Materials Today: Proceedings 28, 1985-1989, 2020 | 6 | 2020 |
| Theoretical investigation of effect of pore size and pore passivation on the thermoelectric performance of silicene nanoribbons S Kaur, DKK Randhawa, SB Narang Journal of Materials Research 32 (18), 3485-3493, 2017 | 6 | 2017 |
| Visions for a molecular future OS Ruhee, DKK Randhawa International Journal of Advanced Research in Computer and Communication …, 2015 | 5 | 2015 |
| Mechanism of rectification and negative differential resistance in single-molecule junctions with asymmetric anchoring groups: a DFT study R Kaur, S Kaur, DKK Randhawa, R Sharma, P Kaur Journal of Molecular Modeling 29 (11), 340, 2023 | 4 | 2023 |
| Design and implementation of reversible logic gates using silicene-based p–n junction logic devices IS Bhatia, DKK Randhawa Journal of Computational Electronics 20 (1), 735-744, 2021 | 4 | 2021 |
| Single electron effects in DNA bases DKK Randhawa, ML Singh, I Kaur, LM Bharadwaj International Journal of Advanced Engineering Technology 2 (2), 197-201, 2011 | 4 | 2011 |
| Tuning the transport properties of tetracene-based single-molecule junctions with chemical or structural variation of side and anchoring groups R Kaur, S Kaur, DKK Randhawa, R Sharma Journal of Molecular Modeling 29 (7), 208, 2023 | 3 | 2023 |
| Verilog-A modeling of a silicene-based p–n junction logic device: simulation and applications IS Bhatia, DKK Randhawa Journal of Computational Electronics 19, 387-395, 2020 | 3 | 2020 |
