- Sangeeta Lakra, S. K. Mukherjee, First principle studies on structural, elastic, electronic, optical, and thermoelectric properties of new perovskite TlTaO3: For renewable energy applications, Journal of Computational Chemistry, 1-9 (2024) (Impact Factor 4.8)(Q2 Journal)(https://doi.org/10.1002/jcc.27308)
- Aparna Dixit, A Dahshan, Santosh Kumar Tripathi, Anshuman Srivastava, Debidatta Behera, Ramesh Sharma, Sanat Kumar Mukherjee, R Khenata, S Bin Omran, Insight into the structural, electronic, optical, thermodynamic and thermoelectric properties of the cubic PbSiO3 Perovskite: A first-principles computation, Chinese Journal of Physics, 92, 1474-1491 (2024) (Impact Factor: 4.6)(Q1 Journal) (https://doi.org/10.1016/j.cjph.2023.10.023)
- Suveksha Tamang , Sadhna Rai , Manas Kumar Mondal , Nayan Kamal Bhattacharyya , Reetik Singh , Sanat Kumar Mukherjee , Joydeep Biswas, Synthesis of Reduced Graphene Oxide and Nickel Oxide/Reduced Graphene Oxide Composite Materials for Supercapacitor Applications and their Computational Investigations, Journal of Molecular Structure, doi: https://doi.org/10.1016/j.molstruc.2024.138865 (2024) (Impact Factor 4.7)(Q2 Journal)
- Debidatta Behera, Dhan Raj Lawati, M Agouri, A Abbassi, S Taj, B Manaut, Sanat Kumar Mukherjee, A DFT insight into the physical features of alkaline based perovskite compounds AInBr3 (A= K, Rb), Solid State Ionics, 409 116513 (2024) (Impact Factor 3.3)(Q2 Journal)(https://doi.org/10.1016/j.ssi.2024.116513)
- Debidatta Behera, Tesfaye Abebe Geleta, I Allaoui, Mohamed Khuili, Sanat Kumar Mukherjee, Boumaza Akila, Samah Al-Qaisi, First-principle analysis of optical and thermoelectric properties in alkaline-based perovskite compounds AInCl3 (A = K, Rb), European Physical Journal Plus, 139(2) 127 (2024) (Impact Factor 2.3)(Q2 Journal)(https://doi.org/10.1140/epjp/s13360-024-04921-w)
- Priyanka Kumari, Aashish Sharma, Saurav Mishra, Praveen Kumar Surolia, Sanat Kumar Mukherjee, Kamakhya Prakash Misra, Susruta Samanta, Sanjib Kabi, Saikat Chattopadhyay, Enhanced photocatalytic efficiency of sol-gel derived ZnS-rGO binary nanocomposite, Physica Scripta, 99(5), 055918 (2024) (Impact Factor: 2.6)(Q2 Journal) (https://iopscience.iop.org/article/10.1088/1402-4896/ad3858/meta)
- Debidatta Behera, M Boudjelal, M Batouche, T Seddik, Dj Hemidi, Sanat Kumar Mukherjee, First principle studies on structural, electronic, elastic, optical, and thermoelectric properties of XGeCl3 (X= Rb/Cs): Promising compounds for green energy application, International Journal of Quantum Chemistry, 124 (1) e27342 (2024) (Impact Factor 2.0)(Q2 Journal)(https://doi.org/10.1002/qua.27342)
- Meriem Lakhdari, Khadidja Hadj Larbi, Abdelkader Nebatti Ech-chergui, Farid Habelhames, Nourddine Benaioun, Jean Michel Nunzi, Sanat Kumar Mukherjee, Mehdi Adjdir, Investigation on the electrocatalytic oxidation of alcohol using zinc oxide thin films deposited by pulsed electrodeposition on an indium tin oxide surface, Revista Mexicana de Física, 70 011005 (1–8) (2024) (Impact Factor 1.0)(Q3 Journal)(https://inis.iaea.org/records/33811-fpz05)
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Jisha Annie Abraham, Debidatta Behera, Kshitij Srivastava, Anshuman Srivastava, Ramesh Sharma, Murefah mana Al-Anazy, E El Shiekh, Sanat Kumar Mukherjee, Insight into the structural, elastic, lattice dynamical, optical, and thermoelectric properties of novel Heusler alloy LiCaBi by first-principles approach, Chinese Journal of Physics, 89, 859-870 (2024)(Q2 Journal)(https://doi.org/10.1016/j.cjph.2023.10.021)
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Aparna Dixit, A Dahshan, Santosh Kumar Tripathi, Anshuman Srivastava, Debidatta Behera, Ramesh Sharma, Sanat Kumar Mukherjee, R Khenata, S Bin Omran, Insight into the structural, electronic, optical, thermodynamic and thermoelectric properties of the cubic PbSiO3 Perovskite: A first-principles computation, Chinese Journal of Physics (2023) (Impact Factor 4.6)(Q1 Journal)
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D. Behera, A. Dixit, K. Kumari, A. Srivastava, R. Sharma, S. K. Mukherjee, R. Khenata, A. Boumaza, S. Bin-Omran, Structural, elastic, mechanical, and thermodynamic characteristic of NaReO3 and KReO3 perovskite oxides from first principles study, Eur. Phys. J. Plus 37:1345 (2022) (Impact Factor: 3.911)
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Mumtaz Manzoor, Debidatta Behera, Suman Chowdhury, Ramesh Sharma, Muhammad Waqas Iqbal, S.K. Mukherjee, Saleh S Alarfaji, Huda A. Alzahrani, First-principles calculations to investigate structural, dynamical, thermodynamic and thermoelectric properties of CdYF3 perovskite, Computational and Theoretical Chemistry 1217 113928 (2022) (Impact factor 2.292).
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Debidatta Behera, Mumtaz Manzoor, Manashish Maharana, Muhammad Waqas Iqbal, Tausif Zahid, Sangeeta Lakra, S.K.Mukherjee*, Saleh S.Alarfaji, Structural, electronic, optical, and thermoelectric re, sponse of zintl phase AAg2S2 (A= Sr/Ba) compounds for renewable energy applications, Physica B: Condensed Matter 649, 414446 (2023) (Impact factor 2.436)(Q2 Journal)(https://doi.org/10.1016/j.physb.2022.414446)
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Sabrina Tair, Abdelkader Nebatti Ech-Chergui, Sanat Kumar Mukherjee, Abdelwaheb Boukhachem, Rajan Kr. Singh, et al., Structural and Compositional Analyses of Spray Pyrolysis α-Lanthanum Sulphide (α-La2S3) Thin Films, Brazilian Journal of Physics 52, 207 (2022) (Impact Fator: 1.326)
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Debidatta Behera, Mumtaz Manzoor, Sanat Kumar Mukherjee,Incorporation of Te in enhancing thermoelectric response of AeAg2SeTe (Ae = Sr, Ba) compounds: A DFT insight, Computational Condensed Matter, e00757 (2022)
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Debidatta Behera, Aparna Dixit, Binayaka Nahak, Anshuman Srivastava, Shubha Dubey, Ramesh Sharma, Abhishek Kumar Mishra, Sanat Kumar Mukherjee, Structural, electronic, elastic, vibrational and thermodynamic properties of antiperovskites Mg3NX (X = Ge, Sn): A DFT study, Physics Letters A 453 128478 (2022) (Impact Factor 2.654)
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Mumtaz Manzoor, Debidatta Bahera, Ramesh Sharma, Faisal Tufail, Muhammad Waqas Iqbal, Sanat Kumar Mukerjee, Investigated the structural, optoelectronic, mechanical, and thermoelectric properties of Sr2BTaO6 (B = Sb, Bi) for solar cell applications, International Journal of Energy Research, https://doi.org/10.1002/er.8669 (2022) (Impact Factor 4.672)
- Debidatta Behera, Jisha Annie Abraham, Ramesh Sharma, Sanat Kumar Mukerjee, Ekta Jain, First Principles Study of New d Half-Metallic Ferromagnetism in CsBaC Ternary Half-Heusler Alloy, Journal of Superconductivity and Novel Magnetism (2022) (Accepted) (Impact Factor 1.675)
- D. Behera, S. K. Mukherjee, Optoelectronics and Transport Phenomena in Rb2InBiX6 (X = Cl, Br) Compounds for Renewable Energy Applications: A DFT Insight, Chemistry 4, 1044-1059 (2022) (ESCI).
- D. Behera, S. K. Mukherjee, Theoretical investigation of the lead-free K2InBiX6(X=Cl, Br) double perovskite compounds using first principle calculation, JETP Letters (2022) (Accepted) (Impact Factor 1.29)
- J. A. Abraham, D. Behera, K. Kumari, A. Srivastava, R. Sharma, S. K. Mukherjee, A comprehensive DFT analysis on structural, electronic, optical, thermoelectric, SLME properties of new double perovskite oxide Pb2ScSiO6, Chemical Physics Letters, 806, 139987 (2022) (Impact Factor: 2.71)
- Sabrina Tair, Prashant Ghediya, Abdelkader Nebatti Ech Chergui, Mhamed Guezzoul, Sanat Kumar Mukherjee, et al., n-type SnS2 thin films spray-coated from transparent molecular ink as a non-toxic buffer layer for solar photovoltaics, Physica Scripta, 97 095810 (2022) (Impact Factor: 3.081)
- Debidatta Behera, Mumtaz Manzoor, Muhammad Waqas Iqbal, Sangeeta Lakra, S. K. Mukherjee*, Revealing excellent electronic, optical, and thermoelectric behavior of Eu based EuAg2Y2 (Y= S/Se): For solar cell applications, Computational Condensed Matter, 32, e00723 (2022) (Impact Factor: 1.789)
- Rajan Singh, Mukul Gupta, D. M. Phase, S. K. Mukherjee*, XANES and XRR study on phase evolution of TiO2 films using HiPIMS, Materials Science and Engineering B, 283, 115827 (2022) (Impact Factor: 4.051)
- Ali Sadek Kadari, Abdelkader Nebatti Ech–Chergui, Brahim Aissa, Sanat Kumar Mukherjee, Nourddine Benaioun, et. al., Growth and Characterization of transparent vanadium doped zinc oxide thin films by means of a spray pyrolysis process for TCO application, Journal of Sol-Gel Science and Technology, https://doi.org/10.1007/s10971-022-05875-0 (2022) (Impact Factor: 2.326)
- Rajan Singh, S. K. Mukherjee*, Correlation of structural, electrical and optical properties of Al-doped ZnO TCOs, Journal of Materials Science: Materials in Electronics, 33, 6969-6980 (2022) (Impact Factor: 2.478)
- Rajan Singh, Mukul Gupta, S. K. Mukherjee*, Effect of Ag layer thickness on optical and electrical properties of ion-beam sputtered TiO2/Ag/TiO2 multilayer thin film, Journal of Materials Science: Materials in Electronics, 33, 6942-6953 (2022) (Impact Factor: 2.478)
- K. P. Mishra, A. Kumawat, A. Bandopadhyay, B. Modak, S. K. Mukherjee, P. D. Babu, S. Kabi, S. Chattopadhyay, R. K. D. Misra, Structural analysis and magnetic properties of cobalt-doped nano titania, Materials Science and Engineering B, 282, 115761 (2022) (Impact Factor: 4.051)
- D. Behera, R. Sharma, H. Ullah, H. S. Waheed, S. K. Mukherjee*, Electronic, optical, and thermoelectric investigations of Zintl phase AAg2Se2 (A = Sr, Ba) compounds: A first-principle approach, Journal of Solid State Chemistry, 312, 123259 (2022) (Impact Factor: 3.498)
- R. Chatterjee, S. K. Mukherjee, B. Paul, S. Chattopadhyaya, Evaluation of spectroscopic analysis, performance and emissions of enriched Jatropha and Madhuca methyl ester for clean environment, Clean Technologies and Environmental Policy, https://doi.org/10.1007/s10098-022-02322-0 (2022) (Impact Factor: 3.636)