Journal Publications

1. Aparna M.P. and Raghu Chatanathodi, "Enhanced HER activity of transition metal cluster decorated ReS₂ monolayer", International Journal of Hydrogen Energy 51, 41 (2024)

2. K. H. Fausia, Bijoy Nharangatt, R. N. Vinayakan, A. R. Ramesh, V. Santhi, K. R. Dhandapani. T. P. Manoj, Raghu Chatanathodi, Deepthi Jose and K. Sandeep, "Probing the Structural Degradation of CsPbBr₃ Perovskite Nanocrystals in the Presence of H₂O and H₂S: How Weak Interactions and HSAB Matter", ACS Omega (Accepted, 2024)

3. Muhammed Fasil Puthiyaparambath and Raghu Chatanathodi, "Enhanced catalytic activity in Nb-doped TiO₂ for electrochemical oxygen reduction reaction", Physical Review Materials 7, 115801 (2023)

4. Shanavas Yoosuf, Rajeena Chennikkad, Raseen Nanakkal, Anju Rajan, Raghu Chatanathodi, Narayanan Kuthirummal, Shalina Begum Tharayil, "A facile method for the preparation of non-metal doped nanotitania featuring visible-region photocatalytic performance", Materials Science and Engineering B 294, 116497 (2023)

5. Aparna M.P. and Raghu Chatanathodi, "Oxygen Reduction and Hydrogen Evolution Reactions on zigzag ReS₂ Nanoribbons", Applied Surface Science 618, 156677 (2023)

6. N. Puthiyottil, S. Kanakkayil, N. P. Pillai, A. Rajan, S. K. Parambath, R G. Krishnamurthy, R. Chatanathodi, M. M. Menamparambath, “In-situ engineering of Au-Ag alloy embedded PEDOT nanohybrids at a solvent/non-solvent interface for the electrochemical enzyme-free detection of histamine”, Journal of Materials Chemistry B 11, 1144 (2023)

7. P. Divya, G. Anagha, Bijoy Nharangatt, Raghu Chatanathodi, H. Sabrin, N. Nourin, K. H. Fausia, K. Padmakumar, Deepthi Jose and K. Sandeep, "Anion Exchange Reaction of CsPbBr₃ Perovskite Nanocrystals: Affinity of Halide Ion Matters", Chemistry Select 48, e202203868 (2022)

8. Bijoy N and Raghu Chatanathodi, "Electronic properties and Magnetism of CrCl₃ Nanoribbons", Journal of Magnetism and Magnetic Materials 564, 170105 (2022)

9. Resmi V. Nair, Muhammed Fasil Puthiyaparambath, Raghu Chatanathodi, Lakshmi V. Nair and Ramapurath S. Jayasree, "A nanoarchitecture of a gold cluster conjugated gold nanorod hybrid system and its application in fluorescence imaging and plasmonic photothermal therapy", Nanoscale 14, 13561 (2022)

10. K. Nubla, Muhammed Fasil P, Raghu Chatanathodi and N. Sandhyarani, "Experimental and Theoretical Investigation on the ORR activity of AgVO₃", Materials Chemistry Frontiers 6, 2042 (2022)

11. Lakshmikanth K G, Muhammed Fasil P and Raghu Chatanathodi, "Possibility of Chemisorption for Benzene on stepped surface of coinage metals", Surface Science 722, 122084 (2022)

12. Aparna M.P. and Raghu Chatanathodi, "Density Functional Theory calculations of the Stability, Electronic Structure, and Magnetism of ReS₂ Nanoribbons: An emerging material for Electrocatalytic Reactions", ACS Applied Nano Materials 5, 2385 (2022)

13. P. R. Rasha, N. A. Ramalakshmi, M. F. Puthiyaparambath, G Rajanikant, R. Chathanathodi, M. M. Menamparambath, "Nickel Cobaltite/Multi-walled Carbon Nanotube Flexible Sensor for the Electrochemical Detection of Dopamine Released by Human Neural Cells", Journal of  Materials Chemistry C 10, 3048 (2022)

14. Lakshmikanth K G, Muhammed Fasil P, Anoop S and Raghu Chatanathodi, "Adsorption of benzene on defective Pt surfaces: A DFT study", Surface Science 716, 121959 (2022)

15. Bijoy N and Raghu Chatanathodi, "Adsorption and Spin Polarization of Pyridine on Fe/W(110) Interface: A DFT Study", Computational Materials Science 199, 110734 (2021)

16. Daughty John, Bijoy N, Srihari Madhav Kastaur and Raghu Chatanathodi, "Blue Phosphorene Nanosheets with Point Defects: Electronic Structure and Hydrogen Storage Capability", Applied Surface Science 551, 149363 (2021)

17. Daughty John, Bijoy N and Raghu Chatanathodi, “Stabilizing honeycomb borophene by metal decoration: a computational study”, Journal of  Materials Chemistry C 7, 11493 (2019)

18. Thulasi Radhakrishnan, Aparna M.P., Raghu Chatanathodi, N. Sandhyarani, "Amorphous Rhenium Disulfide Nanosheets: A Methanol-Tolerant Transition Metal Dichalcogenide Catalyst for Oxygen Reduction Reaction", ACS Applied Nano Materials 2, 4480 (2019)

19. Lakshmikanth K. G, Ishak Kundappaden and Raghu Chatanathodi, " A DFT study of CO adsorption on Pt (111) using van der Waals functionals", Surface Science 681, 143 (2019)

20. Daughty John and Raghu Chatanathodi, "Hydrogen adsorption on alkali metal decorated blue phosphorene nanosheets", Applied Surface Science 465, 440 (2019)

21. Saju K. John, Daughty John, N. Bijoy, Raghu Chatanathodi and Aji A. Anappara, "Magnesium diboride: An effective light-to-heat conversion material in solid-state", Applied Physics Letters 111, 033901 (2017)

22. K. G. Lakshmikanth, P. K. Ayishabi and Raghu Chatanathodi, "Ab initio DFT studies of adsorption characteristics of benzene on close-packed surfaces of transition metals", Computational Materials Science 137, 10 (2017)

23. P. K. Ayishabi and Raghu Chatanathodi, "Adsorption of benzene on low index surfaces of platinum in the presence of van der Waals interactions", Surface Science 664, 8 (2017)

24. P. K. Ayishabi, K. G. Lakshmikanth and Raghu Chatanathodi, “Chemisorption of benzene on Pt (111) surface: A DFT study with van der Waals interaction”, Chemical  Physics Letters  637, 182 (2015)

Journal Publications (Ph.D research period)

1. C. Raghu, Y. Anusooya and S. Ramasesha, ``Density-Matrix Renormalization-Group study of low-lying excitations of Polyacene within a Pariser-Parr-Pople model'', Physical Review B 66, 035116 (2002).

2. C. Raghu, Y. Anusooya and S. Ramasesha, ``Structural and electronic instabilities in polyacenes: Density-matrix renormalization-group study of a long-range interacting model'', Physical Review B  65, 155204 (2002).

3. I. Rudra, C. Raghu, S. Ramasesha, ``Exchange interaction in binuclear complexes with rare-earth and copper ions: A many-body model study'', Physical Review B  65, 224411 (2002).

4. C. Raghu, Indranil Rudra, S. Ramasesha and Diptiman Sen, ``Properties of low-lying states in some high nuclearity Mn, Fe and V clusters: Exact Heisenberg Model Studies'', Physical Review B  64, 0644191 (2001)

5. C. Raghu, Indranil Rudra, S. Ramasesha and Diptiman Sen, `` Evaluation of Low Energy Effective Hamiltonian Techniques for Coupled Spin Triangles'', Physical Review B  62, 9484, (2000).

6. C. Meneghini, R. Cimino, S. Pascarelli, S. Mobilio, C. Raghu and D. D. Sarma, ``Temperature Dependence of Non-Debye Disorder in Doped Manganites'', Physical Review B  56, 3520 (1997).

• PH6309E   Quantum Mechanics-II - M.Sc. II sem

• PH1003E   Electricity and Magnetism - B. Tech. II sem

• Electromagnetic Theory - I & II (M.Sc.)

• Quantum Mechanics-I & II (M.Sc.) 

• Quantum Mechanics and Applied Quantum Mechanics  (B.Tech. Engineering Physics)

Research Area : 

Computational Modeling of Materials, Electronic structure computation using DFT, Surfaces and interfaces, Electrochemical catalysts, Energy materials, Magnetism, Strongly correlated electrons, Model Hamiltonian based computations.

Research Funding: 

6. "First Principles investigation of metal atom embedded nitrogen-doped graphene for the detection and decomposition of nitric oxide" PI: Dr. Sajith P K, Farook College, Calicut; Mentor: Dr. Raghu Chatanathodi, DST-TARE scheme, 2024-2027, Amount: 15  lakhs, Status: on-going.

5. "Investigation of Heusler alloys for spintronic applications", DST-WoS-A, 2022-25; PI: Dr. Madhumita Haldar; Mentor: Dr. Raghu Chatanathodi, Amount: 30 lakhs, Status: on-going.

4. “Computational Modelling of Transition Metal Oxides as Electrochemical Catalysts”, DST-SERB-CRG, 2022-2025; PI: Dr. Raghu Chatanathodi, Amount: 34 lakhs, Status: on-going.

3. “Computational investigations on the mechanism of formation of MoS₂‚‚ tribofilm from MoDTC and its degradation with ageing of oil". PI: Dr. Deepthi Jose, Providence College, Calicut; Mentor: Dr. Raghu Chatanathodi, DST-TARE scheme (2019-2022), Amount: 15 lakhs, Status: Completed

2. “Electronic Structure Studies of Adsorption of Unsaturated Hydrocarbons on Metal Catalysts”, CSIR, 2012-2015; PI: Dr. Raghu Chatanathodi, Amount: 19 lakhs, Status: Completed.

​1. “Electronic Structure of semiconductors and conjugated organic molecules”, NIT Calicut Faculty Research Grant, 2009-2012, PI: Dr. Raghu Chatanathodi, Amount: 5 lakhs, Status: Completed

Research Facilites: 

Single node 96 core intel processor (4) based HPC server, supermicro processor based servers, workstations, VASP for Electronic Structure Computation, VNL for visualization.

Research Group (Computational Materials Science Lab) : 

Research scholars:

1. Muhammed Fasil P P (Full-time Scholar) : DFT based modeling of ORR in transition metal oxides

2. Anju Rajan (Full-time scholar) : DFT based modeling of ORR/HER in Janus 2D materials

3. Athira V (Full-time scholar) : DFT based electronic structure computation & materials modeling

4. Parvathy P (Full-time scholar) : DFT based electronic structure computation & materials modeling

WoS-A Principle Investigator:  Dr. Madhumita Haldar

TARE Principle Investigator:  Dr. Sajith P K, Department of Chemistry, Farook College

Ph.Ds completed:

1. Dr. Ayshabi P. K. (Assistant Professor, K M M Government Women’s College, Kannur)  : Electronic Structure Studies of Adsorption of Aromatic Molecules on Low Index Platinum Surfaces, 2017

2. Dr. Lakshmikanth K. G. (Assistant Professor, Maharajas College, Ernakulam): Computational Studies of Molecular Adsorption on Transition Metal Surfaces: The role of van der Waals interaction, 2019

3. Dr. Daughty John (Assistant Professor, MAMO college, Mukkam) :  Computational Studies on Electronic Structure of Borophene and Phosphorene and Hydrogen Storage Capabilities of Phosphorene, 2019

4. Dr. Bijoy N (Post Doctoral Fellow, SNBNCBS) :  Computational modeling of organic molecule-ferromagnetic metal interface and electronic structure and magnetism of low dimensional chromium trihalides, 2022

5. Dr. Aparna M. P. (Assistant Professor, NSS College, Manjeri) : Rhenium Disulphide Nanostructures and their Catalytic Applications : A Computational Study, 2023

• Gordon, III; Clarence L. (Glenville, NY), Venugopal; Manoharan (Bangalore, IN), Mishra; Debasish (Clifton Park, NY), Chatanathodi; Raghu (Calicut, IN), Bossi; Richard Henry (Renton, WA), Hutchinson; Michael Craig (Kent, WA), "Radiographic inspection system and method", US Patent No. 7,653,175, January 26, 2010.