LOKANATH PATRA

Research Publications

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Journal Articles

    2025

  1. Kumar, P. C., Panda, J., Patra, L., Mohanty, S., Chinnaiyah, S., & Naik, R. BiAgOTe Nanosheets with Enhanced Photoresponse Ability: An Experimental & Computational Study. Nanoscale. https://doi.org/10.1039/D5NR01867F
  2. Choudhary, M. K., Rawat, A., Patra, L. & Pandey, R. First-principles study of Chlorination of 2D monolayer. ACS Omega 10, 12710-12716. https://doi.org/10.1021/acsomega.5c01346
  3. Mondal, S., Rajan, K. D., Patra, L, Rathinam, M. & Ganesh, V. Sulfur Vacancy-Induced Enhancement of Piezocatalytic H2 Production in MoS2. Small 21, 2411828. https://doi.org/10.1002/smll.202411828
  4. Munisha, B., Patra, L, Nanda, J. & Mondal, S. Insights into the electronic, magnetic structure, and photocatalytic activity of Y2CuMnO6 double perovskite. RSC Advances 15, 3110–3121. https://doi.org/10.1039/D4RA06357K

    5. 2024

  5. Das, S. K., Patra, L, Samal, P. & Sahoo, P. K. Strain-induced enhanced performance in 2D C2N/MoS2 Heterostructures for Photocatalytic water splitting: A meta-GGA study. ACS Applied Electronic Materials 6, 1415–1423. https://doi.org/10.1021/acsaelm.3c01708
  6. Das, S. K., Patra, L, Samal, P. & Sahoo, P. K. Unveiling the reactivity of oxygen and ozone on C2N monolayer. Physica Status Solidi – Rapid Research Letters, 2400148. https://doi.org/10.1002/pssr.202400148
  7. Kaur, B., Heena, Khandy, S. A., Ahmad, S. R., Albaqami, M. D., Srinivasan, M., Patra, L, Dhiman, S. & Kaur, K. Thermoelectric properties of 2D Sn2SSe monolayer. Advanced Quantum Technologies 7, 2300357. https://doi.org/10.1002/qute.202300357
  8. Mohapatra, S. R., Patra, L, Pati, A., Singh, A. K., Panda, J. & Mohanty, H. S. (Contributed equally as first author), Insight into structural, electronic and magnetic properties of Gd-substituted Bi2Fe4O9 multiferroic by experimental and theoretical approach. ECS Journal of Solid State Science and Technology 13, 113010. https://doi.org/10.1149/2162-8777/ad910d
  9. Mondal, S., Patra, L, Ilanchezhiyan, P., Bernaurdshaw, N., Pandey, R. & Ganesh, V. In-situ growth of CuBi2O4/Bi2O3 Z-scheme heterostructures for bifunctional photocatalytic application. Langmuir 40, 12954. https://doi.org/10.1021/acs.langmuir.4c00589
  10. Patra, L, Quan, Y. & Liao, B. Impact of dimensionality on the magnetocaloric effect in two-dimensional magnets. Journal of Applied Physics 136, 024301. https://doi.org/10.1063/5.0218007
  11. Rawat, A., Patra, L, Pandey, R. & Karna, S. P. First-principles study of the oxidation susceptibility of WS2, WSe2, and WTe2 monolayers. Nanoscale 16, 7437–7442. https://doi.org/10.1039/D3NR06089F
  12. Remya, U. D., Arun, K., Swathi, S., Athul, R. S., Patra, L, Dzubinska, A., Reiffers, M., Pandey, R. & Nagalakshmi, R. Magnetic and Magnetocaloric Properties of Tb1.4Dy0.6In Compound. Journal of Alloys and Compounds 976, 173111. https://doi.org/10.1016/j.jallcom.2023.173111
  13. Srinivasan, M., Sivasamy, R., Kaur, K., Sindhu, K. N. H., Khandy, S. A. & Patra, L Structural Preferences of Metal Chalcogenide based Nanothreads (MX; M=Au, Ag; X=S, Se): A Computational Study. ChemistrySelect 9, e202401201. https://doi.org/10.1002/slct.202401201
  14. Yuan, J., Yang, R., Patra, L & Liao, B. (Contributed equally as first author), Enhancing magnetocaloric material discovery: A machine learning approach using an autogenerated database by large language models. AIP Advances 14, 085125. https://doi.org/10.1063/5.0206855
  15. Zhang, F., Patra, L, Chen, Y., Ouyang, W., Sarte, P., Adajian, S., Zuo, X., Yang, R., Luo, T. & Liao, B. Room-temperature magnetic thermal switching by suppressing phonon-magnon scattering. Phys. Rev. B 109, 184411. https://doi.org/10.1103/PhysRevB.109.184411

    16. 2023

  16. Wani, A. F., Patra, L, Srinivasan, M., Singh, J., Abdelmohsen, S. A., Alanazi, M. M., Dhiman, S. & Kaur, K. XO2 (X = Pd, Pt) monolayers: A promising thermoelectric materials. Advanced Theory and Simulations 6, 2300158. https://doi.org/10.1002/adts.202300158
  17. Chinnakutti, K. K., Kirubaharan, A. K., Patra, L, Pandey, R., Theerthagiri, J., Vengatesh, P., Salammal, S. T., Paramasivam, N., Sambandam, A., Kasemchainan, J. & Choi, M. Y. Modulating the combinatorial target power of MgSnN2 via RF magnetron sputtering for enhanced optoelectronic performance: Mechanistic insights from DFT studies. ACS Applied Materials & Interfaces 15, 14546–14556. https://doi.org/10.1021/acsami.2c22514
  18. Munisha, B., Patra, L, Nanda, J., Pandey, R. & Brahma, S. S. CeMnO3 nanoparticle-decorated g-C3N4 nanosheets as Z-Scheme heterostructures for efficient photocatalytic degradation of dyes. ACS Applied Nano Materials 6, 20539–20555. https://doi.org/10.1021/acsanm.3c02156
  19. Patra, L & Liao, B. Indirect exchange interaction leads to large lattice contribution to magnetocaloric entropy change. Physics Review Letters 131, 066703. https://doi.org/10.1103/PhysRevLett.131.066703
  20. Wang, K., Patra, L, Liu, B., Zhang, Z., Pandey, R. & Lee, B. P. Salicylhydroxamic acid as a novel switchable adhesive molecule. Chemistry of Materials 35, 5322–5330. https://doi.org/10.1021/acs.chemmater.3c00508
  21. Wani, A. F., Khandy, S. A., Patra, L, Srinivasan, M., Singh, J., Ali, A. M., Islam, I., Dhiman, S. & Kaur, K. Intrinsic and strain dependent ultralow thermal conductivity in novel AuX (X = Cu, Ag) monolayers for outstanding thermoelectric applications. Physical Chemistry Chemical Physics 25, 21736–21747. https://doi.org/10.1039/D3CP01038D

    22. 2022

  22. Rani, B., Wani, A. F., Sharopov, U. B., Patra, L, Singh, J., Ali, A. M., Abd El-Rehim, A., Khandy, S. A., Dhiman, S. & Kaur, K. Electronic structure-, phonon spectrum-, and effective mass-related thermoelectric properties of PdXSn (X = Zr, Hf) half Heuslers. Molecules 27, 6567. https://doi.org/10.3390/molecules27196567
  23. Kumar Chinnakutti, K., Patra, L, Panneerselvam, V., Govindarajan, D., Kheawhom, S., Theerthagiri, J., Yu, Y., Salammal, S. T. & Choi, M. Y. Lithium inserted ZnSnN2 thin films for solar absorber: n to p-type conversion. Materials Today Chemistry 25, 100957. https://doi.org/10.1016/j.mtchem.2022.100957
  24. Patra, L, Mallick, G., Pandey, R. & Karna, S. P. Surface stability of WN ultrathin films under O2 and H2O exposure: A first-principles study. Applied Surface Science 588, 152940. https://doi.org/10.1016/j.apsusc.2022.152940
  25. Patra, L, Pandey, R. & Karna, S. P. Mechanical properties of 2D materials: A review on molecular dynamics based nanoindentation simulations. Materials Today Communications 31, 103623. https://doi.org/10.1016/j.mtcomm.2022.103623
  26. Rani, B., Wani, A. F., Khandy, S. A., Sharopov, U. B., Patra, L, Kaur, K. & Dhiman, S. Pursuit of stability, electronic and thermoelectric properties of novel PdVGa half heusler compound. Solid State Communications 351, 114796. https://doi.org/10.1016/j.ssc.2022.114796

    27. 2021

  27. Bano, A., Patra, L & Pandey, R. Stability and electronic properties of the graphene-supported FeO nanostructures including clusters and monolayer. Applied Surface Science 569, 150976. https://doi.org/10.1016/j.apsusc.2021.150976
  28. Jana, S., Bhat, S. G., Behera, B., Patra, L, Kumar, P. A., Nanda, B. & Samal, D. Evidence for weak antilocalization–weak-localization crossover and metal-insulator transition in CaCu3Ru4O12 thin films. Europhysics Letters 133, 17005. https://doi.org/10.1209/0295-5075/133/17005
  29. Patra, L, Mallick, G. & Pandey, R. Orientation-dependent electronic and mechanical properties of tungsten nitride nanosheets: Implications for flexible devices. ACS Applied Nano Materials 4, 13771–13777. https://doi.org/10.1021/acsanm.1c03170
  30. Patra, L, Mallick, G., Sachdeva, G., Shock, C. & Pandey, R. Orientation-dependent mechanical response of graphene/BN hybrid nanostructures. Nanotechnology 32, 235703. https://doi.org/10.1088/1361-6528/abe671
  31. Patra, L, Sachdeva, G., Pandey, R. & Karna, S. P. Ozonation of group-IV elemental monolayers: A first-principles study. ACS Omega 6, 19546–19552. https://doi.org/10.1021/acsomega.1c01862
  32. Periyasamy, M., Patra, L, Fjellvåg, Ø. S., Ravindran, P., Sørby, M. H., Kumar, S., Sjåstad, A. O. & Fjellvåg, H. Effect of electron doping on the crystal structure and physical properties of an n = 3 Ruddlesden–Popper compound La4Ni3O10. ACS Applied Electronic Materials 3, 2671–2684. https://doi.org/10.1021/acsaelm.1c00270

    33. 2016-2020

  33. Pan, Z., Chen, J., Yu, R., Patra, L, Ravindran, P., Sanson, A., Milazzo, R., Carnera, A., Hu, L., Wang, L., Yamamoto, H., Ren, Y., Huang, Q., Sakai, Y., Nishikubo, T., Ogata, T., Fan, X., Li, Y., Li, G., Hojo, H., Azuma, M. & Xing, X. Large negative thermal expansion induced by synergistic effects of ferroelectrostriction and spin crossover in PbTiO3-based perovskites. Chemistry of Materials 31, 1296–1303. https://doi.org/10.1021/acs.chemmater.8b04266
  34. Patra, L, Vidya, R., Fjellvåg, H. & Ravindran, P. Giant magnetoelectric coupling in multiferroic PbTi1−xVxO3 from density functional calculations. ACS Omega 4, 16743–16755. https://doi.org/10.1021/acsomega.9b01176
  35. Patra, L, Pan, Z., Chen, J., Azuma, M. & Ravindran, P. Metamagnetism stabilized giant magnetoelectric coupling in ferroelectric xBaTiO3–(1−x)BiCoO3 solid solution. Physical Chemistry Chemical Physics 20, 7021–7032. https://doi.org/10.1039/C7CP07677K
  36. Kishore, M. A., Okamoto, H., Patra, L, Vidya, R., Sjåstad, A. O., Fjellvåg, H. & Ravindran, P. Theoretical and experimental investigation on structural, electronic and magnetic properties of layered Mn5O8. Physical Chemistry Chemical Physics 18, 27885–27896. https://doi.org/10.1039/C6CP04170A
  37. Patra, L, Kishore, M. A., Vidya, R., Sjåstad, A. O., Fjellvåg, H. & Ravindran, P. Electronic and magnetic structures of hole doped trilayer La4−xSrxNi3O8 from first-principles calculations. Inorganic Chemistry 55, 11898–11907. https://doi.org/10.1021/acs.inorgchem.6b01938

Conference Proceedings

  1. Augustine, A. M., Sudarsanan, V., Patra, L, Kavitha, M. & Ravindran, P. Li-rich Li6MnxFe1−xS4 as cathode material for Li-ion battery in AIP Conference Proceedings 2115 (2019). https://doi.org/10.1063/1.5113462
  2. Patra, L & Ravindran, P. Magnetoelectric properties of Pb free Bi2FeTiO6: A theoretical investigation in AIP Conference Proceedings 1953 (2018). https://doi.org/10.1063/1.5033104
  3. Patra, L & Ravindran, P. Theoretical investigation of the magnetoelectric properties of Bi2NiTiO6 in AIP Conference Proceedings 1942 (2018). https://doi.org/10.1063/1.5029124
  4. Patra, L & Ravindran, P. Prediction of magnetoelectric behavior in Bi2MnTiO6 in AIP Conference Proceedings 1832 (2017). https://doi.org/10.1063/1.4980773

Books and Chapters

  1. Mehak, N., Wani, A. F., Rani, B., Sharopov, U. B., Singh, J., Khandy, S. A., Patra, L, Dhiman, S. & Kaur, K. Thermoelectric Properties of Perovskites Materials (Nova Science Publishers, 2024). https://doi.org/10.52305/NWCP4111