Journal Publications

• Anju Rajan and Raghu Chatanathodi, "Computational insights into the catalytic activity of two-dimensional Janus WSO for Hydrogen Evolution Reaction", Journal of the Electrochemical Society 172, 036502 (2025)
• Subin Kaladi Chondath, Love Bansal, Anusree Veluthath Rethnakumaran, Deepa Davison,Muhammed Fasil Puthiyaparambath, Raghu Chatanathodi, Rajesh Kumar,and Mini Mol Menamparambath, "In Situ Generation of Porous Ag-Hollandite/Polypyrrole 2DMats at the Water/Chloroform Interface for Dual Applications in Energy Storage and Electrochemical Sensing", Small Methods 2025 (accepted)
• Muhammed Fasil Puthiyaparambath, Julian Ezra Samuel and Raghu Chatanathodi, "Tailoring surface morphology on anatase TiO₂ supported Au nanoclusters: implications for O₂ activation", Nanoscale Advances 6, 5897 (2024).
• Muhammed Fasil Puthiyaparambath and Raghu Chatanathodi, "Screening transition metal incorporated β-AgVO₃ for augmented oxygen reduction activity", Langmuir 40 (39), 20323 (2024).
• Anoop C Sathyadevan Nair, Anju Rajan, K P Adarsh Raj, Abhishek Melarkode Rajendran, Megha Raichal Benny, Kavya Murali, Pattiyil Parameswaran, C S Suchand Sangeeth, Raghu Chatanathodi and Vari Sivaji Reddy, "Fine tuning the work function of ZnO cathode buffer layers in organic solar cells by phenanthroline coordination",  ACS Applied Energy Materials 7 (19), 9011 (2024).
• V. M. Swathi, K Arjun, Anju Rajan, Raghu Chatanathodi, Karthikeyan Balasubramanian and Aji A Anappara, "Multivalency-induced structural variations of 2D selenium nanosheets: facile solution-phase synthesis and optical properties", Physical Chemistry Chemical Physics 26, 22112 (2024)
• Aparna M.P. and Raghu Chatanathodi, "Armchair ReS₂ nanoribbons: A promising catalyst for hydrogen evolution reaction", Journal of the Electrochemical Society 171, 066504 (2024)
• 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 9, 8417 (2024)
• Aparna M.P. and Raghu Chatanathodi, "Enhanced HER activity of transition metal cluster decorated ReS₂ monolayer", International Journal of Hydrogen Energy 51, 41 (2024)
• Muhammed Fasil Puthiyaparambath and Raghu Chatanathodi, "Enhanced catalytic activity in Nb-doped TiO₂ for electrochemical oxygen reduction reaction", Physical Review Materials 7, 115801 (2023)
• 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)
• Aparna M.P. and Raghu Chatanathodi, "Oxygen Reduction and Hydrogen Evolution Reactions on zigzag ReS₂ Nanoribbons", Applied Surface Science 618, 156677 (2023)
• 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)
• 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)
• Bijoy N and Raghu Chatanathodi, "Electronic properties and Magnetism of CrCl₃ Nanoribbons", Journal of Magnetism and Magnetic Materials 564, 170105 (2022)
• 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)
• 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)
• 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)
• 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)
• 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)
• 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)
• 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)
• 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)
• Daughty John, Bijoy N and Raghu Chatanathodi, “Stabilizing honeycomb borophene by metal decoration: a computational study”, Journal of  Materials Chemistry C 7, 11493 (2019)
• 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)
• 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)
• Daughty John and Raghu Chatanathodi, "Hydrogen adsorption on alkali metal decorated blue phosphorene nanosheets", Applied Surface Science 465, 440 (2019)
• 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)
• 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)
• 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)
• 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).

• PH1003E  Electricity and Magnetism (For B.Tech. Electrical and Electronics Engineering)

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

• Electricity and Magnetism (For B.Tech. Electrical and Electronics Engineering)

• Quantum Mechanics-I & II (M.Sc.) 

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

• ED1301E   Mechanics and Properties of Matter - B.Sc. B. Ed. I sem (ITEP program)

• PH1002E Mechanics and Waves (For B.Tech. Mechanical Engineering)

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

2. Athira V (Full-time scholar) : DFT based studies of spintronic materials and magnetism

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

4. Divya V S (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, University of Florence, Italy) :  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

6. Dr. Muhammed Fasil P. P. (Post Doctoral Fellow, SRM University-AP, Amaravathi, A.P.) : Computational Studies of Transition Metal Oxide-based Electrocatalysts for Energy Conversion, 2025

• 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.