PROFILE
- Energy Storage Materials
- Gas Adsorption and Separation
- Atmospheric Chemical Reaction
- Fuel Cell
0422-2428443
lsenthilkumar@buc.edu.in
9443702753
ACADEMIC IDENTITY Scopus ORCID Google Scholar Publons Vidwan / IRINS
Research Area
- Energy Storage Materials
- Gas Adsorption and Separation
- Atmospheric Chemical Reaction
- Fuel Cell
Featured Publications
Courses Teaching
- Quantum mechanics
- Mathematical Physics
- Solid State Physics
- Atomic Physics and Spectroscopy
- Research Methodology
- Molecular Quantum Mechanics
EDUCATION & CAREER
- Energy Storage Materials
- Gas Adsorption and Separation
- Atmospheric Chemical Reaction
- Fuel Cell
0422-2428443
lsenthilkumar@buc.edu.in
9443702753
ACADEMIC IDENTITY Scopus ORCID Google Scholar Publons Vidwan / IRINS
- Education
-
Ph. D.
Subject: Physics
Institution: Bharathiar University
Affiliated University: Bharathiar University
Year of Award: 2007M. Sc.,
Subject: Physics
Institution: Bharathiar University
Affiliated University: Bharathiar University
Year of Award: 1999
- Career
-
At Bharathiar University (Reverse Order)
Professor: March 2015 to Till Date
Associate Professor: March 2012 to March 2015
RESEARCH AREAS
- Energy Storage Materials
- Gas Adsorption and Separation
- Atmospheric Chemical Reaction
- Fuel Cell
0422-2428443
lsenthilkumar@buc.edu.in
9443702753
ACADEMIC IDENTITY Scopus ORCID Google Scholar Publons Vidwan / IRINS
- Lithium-Sulfur Batteries
-
Evaluation of molecular parameters of lithium polysulfides and adsorption of lithium polysulfides on different 2D materials.
- Biosensors
-
Theoretical investigations on sensing behaviour of brain neurotransmitters with 2D materials.
- Fuel cells
-
To identify various metal free catalysts for Oxygen Reduction Reaction (ORR) in fuel cells using density function theory calculation is carried out using Gaussian09 software and VASP.
PUBLICATIONS
- Energy Storage Materials
- Gas Adsorption and Separation
- Atmospheric Chemical Reaction
- Fuel Cell
0422-2428443
lsenthilkumar@buc.edu.in
9443702753
ACADEMIC IDENTITY Scopus ORCID Google Scholar Publons Vidwan / IRINS
Reverse Chronological Order
- 2021-2024
-
2024
Umadevi Palanivel, Vijayakumar Elayappan, Senthilkumar Lakshmipathi
International Journal of Hydrogen Energy (2024)
2023
Ottoor Anitha, Thangaraj Thiruppathiraja, Senthilkumar Lakshmipathi, Balasubramanian Murugesapandian
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy (2023)
Nandhini Panjulingam, Senthilkumar Lakshmipathi
Molecular Physics (2023)
Athibala Mariappan, Pandian Mannu, Thangaraj Thiruppathiraja, Ta Thi Thuy Nga, Senthilkumar Lakshmipathi, Chung-Li Dong, Ranjith Kumar Dharman, Tae Hwan Oh
Chemical Engineering Journal (2023)
98. Multiphase MoS2 monolayer: A promising anode material for Mg-Ion batteries
Nandhini Panjulingam, Senthilkumar Lakshmipathi
Ionics (2023)
Sureshkumar Mahalingam, Ephraim Muriithi Kiarii, Thangaraj Thiruppathiraja, Arul Murugesan, Senthilkumar Lakshmipathi, Talent Raymond Makhanya, Robert M Gengan
Polycyclic Aromatic Compounds (2023)
Meera Cheviri, Senthilkumar Lakshmipathi
Theoretical Chemistry Accounts (2023)
95. Shear-induced symmetry-breaking dynamical states
K Premalatha, VK Chandrasekar, L Senthilkumar, M Lakshmanan
The European Physical Journal Plus (2023)
Meera Cheviri, Senthilkumar Lakshmipathi
Applied Physics A (2023)
Ottoor Anitha, Janardhanan Aiswarya, Thangaraj Thiruppathiraja, Senthilkumar Lakshmipathi, Jan Grzegorz Małecki, Balasubramanian Murugesapandian
New Journal of Chemistry (2023)
Mathivanan Moorthy, Tharmalingam Balamurugan, Anitha Ottoor, Thiruppathiraja Thangaraj, Lakshmipathi Senthilkumar, Małecki Jan Grzegorz, Balasubramanian Murugesapandian
Journal of Molecular Liquids (2023)
Thangaraj Thiruppathiraja, Pugal Neelam Parameswaran Senthan, Senthilkumar Lakshmipathi
Sustainable Energy & Fuels (2023)
90. Reaction mechanism and kinetics of H and Cl atom abstraction in Dichloromethane with OH radical
Angappan Mano Priya, Basheer Aazaad, Vasanth Perumal Mythili, Senthilkumar Lakshmipathi
Computational and Theoretical Chemistry (2023)
Balamurugan Tharmalingam, Ottoor Anitha, Janardhanan Aiswarya, Thangaraj Thiruppathiraja, Senthilkumar Lakshmipathi, Balasubramanian Murugesapandian
Journal of Photochemistry and Photobiology A: Chemistry (2023)
Thangaraj Thiruppathiraja, Senthilkumar Lakshmipathi
Ionics (2023)
Thangaraj Thiruppathiraja, Senthilkumar Lakshmipathi
Applied Physics A (2023)
Thekkayil Sangeetha, Senthilkumar Lakshmipathi
Journal of Molecular Modeling (2023)
85. Multi-stimuli responsiveness of pyrimidine bishydrazone: AIE, tuneable luminescence, white light emission, mechanochromism, acidochromism and its anticounterfeiting applications
Ottoor Anitha, Moorthy Mathivanan, Balamurugan Tharmalingam, Thangaraj Thiruppathiraja, Sandipan Ghorai, Ramalingam Natarajan, Viruthachalam Thiagarajan, Senthilkumar
Lakshmipathi, Balasubramanian Murugesapandian
Dyes and Pigments (2023)
K Muthumalai, Nandhini Panjulingam, Mathankumar Manoharan, Yuvaraj Haldorai, Senthilkumar Lakshmipathi, Ramasamy Thangavelu Rajendra Kumar
Sensors and Actuators B: Chemical (2023)
2022
Sureshkumar Mahalingam, Arul Murugesan, Thangaraj Thiruppathiraja, Senthilkumar Lakshmipathi, Talent Raymond Makhanya, Robert M Gengan
Heliyon (2022)
82. Redox induced electron transfer in lithium polysulfide–A DFT study
Meera Cheviri, Senthilkumar Lakshmipathi.
Journal of Sulfur Chemistry (2022)
Mathivanan Tamilarasan, Subrata Dolui, Nandhini Panjulingam, Rajkumar Kanakaraj, Lakshmipathi Senthilkumar, Banerjee ,Sanjib, Kalai Selvan Ramakrishnan
ChemElectroChem (2022)
Gisèle El Dib, Angappan Mano Priya, Senthilkumar Lakshmipathi
Atmosphere,13,1247 (2022)
Tamilarasan Mathivanan, Nandhini Panjulingam, Subrata Dolui, Senthilkumar Lakshmipathi, Sanjib Banerjee, Ramakrishnan Kalai Selvan,
Materials Letters,315,131935 (2022)
78.Experimental and Theoretical Studies of Trans-2-Pentenal Atmospheric Ozonolysis
Kalalian Carmen, Grira Asma, Niklas Illmann Jan, Patroescu-Klotz Iulia, El Dib Gisèle, Coddeville Patrice, Canosa André, Wiesen Peter, Aazaad Basheer, Senthilkumar Lakshmipathi, Estelle Roth, Tomas Alexandre, Chakir Abdelkhaleq
Atmosphere,13,2,291 (2022)
2021
Thiruppathiraja Thangaraj, Arokiyanathan Agnes Lincy, Lakshmipathi Senthilkumar
Fuel Cells,1-12 (2021)
Shyama Muraledharan, Lakshmipathi Senthilkumar
Molecular Simulation,47,13,1066-1077 (2021)
Shyama Muraledharan, Cheviri Meera, Mano Priya Angappan, Lakshmipathi Senthilkumar
Computational and Theoretical Chemistry,113341,1203 (2021)
74.Nitrogen-Doped Buckybowls as Potential Scaffold Material for Lithium-Sulfur Battery: A DFT Study
Meera Cheviri, Senthilkumar Lakshmipathi
Electrocatalysis,678–690 (2021)
73. DFT Study of Chemical Reactivity Parameters of Lithium Polysulfide Molecules Li2Sn (1≤n≤8) in Gas and Solvent phase
M Cheviri, L. Senthilkumar
Computational and Theoretical Chemistry 113323, 148 (2021)72. Cation-Anion Interactions, Stability, and IR Spectra of Dicationic Amino Acid-Based Ionic Liquids...
S Muraledharan, L. Senthilkumar
Journal of Molecular Modeling 27, 180 (2021)71. Theoretical perspective on the interaction of CO 2 and H 2 O molecules with functionalized...
AL Arokiyanathan, L. Senthilkumar
Theoretical Chemistry Accounts 140 (4), 1-13 (2021)70. Synthesis of metal-free nitrogen-enriched porous carbon and its electrochemical sensing...
P RupaKasturi, TK Aparna, AL Arokiyanathan, L. Senthilkumar, Ramanathan Sivasubramanian, Yun Sung Lee,
Ramakrishnan KalaiSelvan
Materials Chemistry and Physics 260 (2021) - 2020
-
69. Water confined (H2O) n= 1–10 amino acid-based ionic liquids–a DFT study on the bonding, energetics and IR spectra
M Shyama, L. Senthilkumar
Journal of Molecular Liquids 304, 112720 (2020)68. Chemical Properties of Lithium Cluster (Lix x= 2-8) On Stone-Wales Defect Graphene Sheet-A DFT Study
AL Arokiyanathan, N Panjulingam, L. Senthilkumar
The Journal of Physical Chemistry C 124 (13), 7229-7237 (2020)67. Effect of metal substitution (Mg, Sc) and functionalization (H, F, NH2, CH3, OH, CHO, and COOH) on...
AL Arokiyanathan, L. Senthilkumar
Polyhedron 176, 114244 (2020)66. Glutathione functionalized Copper Nanoclusters as a Fluorescence Platform for Specific Biosensing...
R Ramar, A Basheer, L. Senthilkumar, I Malaichamy
Microchemical Journal 158, 105253 (2020)65. H, OH and COOH functionalized magnesium phthalocyanine as a catalyst for oxygen reduction ...
T Thangaraj, A Agnes Lincy, A Basheer, S Ramesh, L. Senthilkumar
International Journal of Hydrogen Energy 45 (15), 8540-8548 (2020)64. Cobalt phthalocyanine is a suitable scaffold for lithium polysulfide (Li2Sn n= 2–8)
M Cheviri, L. Senthilkumar
Chemical Physics Letters 739, 136942 (2020)63. ZnO and TiO2 clusters as catalyst in the addition and abstraction reaction of acrylic acid with the OH radical
Basheer Aazaad, L. Senthilkumar
International Journal of Chemical Kinetics 52, 3-15(2020)62. Adsorption and sensing properties of non-planar π surfaces towards high energy molecules...
L. Senthilkumar, Agnes Lincy Arokiyanathan Vidhyashree Ramasamy
Journal of Physics and Chemistry of Solids 138, 109198 (2020) - 2019-2003
-
Agnes LincyArokiyanathan, L. Senthilkumar
Polyhedron,114244, (2019).
60. C–H···O interaction between cation and anion in amino acid-based ionic liquids—A DFT study in gas and solvent phase
Shyama Muraledharan, L. Senthilkumar
Structural Chemistry 30, 185-194 (2019)59. Impact of Functional Groups Substitution on the Molecular Properties of Magnesium and Scandium Phthalocyanines
Agnes Lincy. A, L. Senthilkumar
Inorganica Chimica Acta 483, 203-210, (2018)58. OH initiated oxidation mechanism of monoterpene (linalool) – A first comprehensive theoretical study
Basheer Aazaad , L. Senthilkumar,
Atmospheric Environment 189, 235-243 (2018)57. The first-principles study of CoSb2O4 and its electrochemical properties for supercapacitors
Amirthalingam Shanmugavani, Murugan Lalitha, Rajeesh Kumar Narayanan Kutty, Leonid Vasylechko, Yun Sung Lee,
L. Senthilkumar, Ramakrishnan Kalai Selvan
Electrochimca Acta 283, 949-958 (2018)56. An Experimental and Theoretical Study on the Kinetics of the Reaction between 4-Hydroxy-3-Hexanone
H3CH2C(O)CH(OH)CH2CH3...
Gisèle El Dib, Basheer Aazaad , L. Senthilkumar, Hélène Laversin, Estelle Roth, Abdelkhaleq Chakir
International Journal of Chemical Kinetics 50: 556–567 (2018)55. Theoretical Study on the Interaction of CO2 and H2O molecules with Metal doped-Fluorinated Phthalocyanines
Agnes Lincy. A, L. Senthilkumar
New Journal of Chemistry 42, 3465-3472 (2018)54. Reaction of Pentanol isomers with OH radical – A theoretical perspective
B. Aazaad, L. Senthilkumar
Molecular Physics 119, 6, 1153-1165 (2018)53. Gas adsorption efficacy of graphene sheets functionalised with carboxyl, hydroxyl and epoxy groups ...
Murugan Lalitha, L. Senthilkumar
Phys. Chem. Chem. Phys. 19, 30895-30913 (2017)52. Molecular Properties of Metal Difluorides and their Interaction with CO2, H2O molecules - A DFT Investigation
Agnes Lincy. A , L. Senthilkumar
Journal of Molecular Modeling 23: 345 (2017)51. Experimental and theoretical investigations of the kinetics and mechanism of ...
L. Aslan, A. Mano Priya, C. Sleiman, M.N. Zeineddine, P. Coddeville, C. Fittschen4, B.Ballesteros, A. Canosa,
L. Senthilkumar, G. El Dib, A. Tomas
Atmospheric Environment 166, 315-326 (2017)50. Facile hydrothermal synthesis and First principle computational studies of NiSb2O4 and its electrochemical properties ...
A.Shanmugavani, M. Lalitha, S. Yuvaraj, L. Vasylechko, L. Senthilkumar, R. K.Selvan
Chemistry Select 23 ,6823-6832 (2017)49. DFT study on abstraction reaction mechanism of oh radical with 2-methoxyphenol
A.Manopriya, L. Senthilkumar
Journal of Physical Organic Chemistry 30, e3713 (2017)48. Interface energetics of [Emim]+[X]− and [Bmim]+[X]− (X = BF4, Cl, PF6, TfO, Tf2N) based ionic liquids on graphene,...
M. Lalitha, L. Senthilkumar
Journal of Molecular Liquids 236 ,124-134 (2017)47. Adsorption behaviour of reduced graphene oxide towards cationic and anionic dyes: Co-action of ...
C.R.Minitha, M.Lalitha, Y.L. Jeyachandran, L. Senthilkumar, R.T. Rajendra Kumar
Materials Chemistry and Physics 194 ,243-252 (2017)46. Elucidation of Binding Mechanism of Photodynamic Therapeutic Agent Toluidine Blue O with Chicken Egg...
K.Shanmugaraj, P.Umadevi, L. Senthilkumar, M.Ilanchelian
Photochemistry and Photobiology 93 ,1043-1056 (2017)45. Atmospheric fate of diketones and OH radical–kinetics, reaction force, ETS-NOCV analysis
A.Mano Priya, L. Senthilkumar
Molecular Physics 115, 839-859 (2017)44. Reaction of NO3 radical with benzyl alcohol - A DFT study
Basheer Aazaad, L. Senthilkumar
Computational and Theoretical Chemistry 1102, 51-59 (2017)43. Edge functionalised & Li-intercalated 555-777 defective bilayer graphene for the adsorption of CO2 and H2O
M. Lalitha, L. Senthilkumar, Suresh K. Bhatia
Applied Surface Science 400, 375-390 (2017)42. Improved Lithium adsorption in Boron and Nitrogen-substituted Graphene derivatives
M. Lalitha, S.Selva Mahadevan, L. Senthilkumar
Journal of Material Science 52, 815 (2017)41. Influence of dopants Cu, Ga, In, Hg on the electronic structure of CdnSn (n = 6, 15) clusters – a DFT study
P. Ganesan and L. Senthilkumar
RSC Advances 6, 93056-93067 (2016)40. Interaction between Arginine conformers and Hofmeister Halide anions
P. Umadevi and L. Senthilkumar
Computational and Theoretical Chemistry 1095, 93-103 (2016)39. First Experimental and Theoretical Kinetic Study of the Reaction of 4-Hydroxy-4- methyl 2-pentanone as a Function...
A.Mano Priya, L. Senthilkumar, C Abdelkhaleq, ED Gisèle
International Journal of chemical Kinetics 48, 584-600 (2016)38. Addition and abstraction reaction mechnanism of 2,4,5 Trimethylphenol with OH radical - A First Principle study
Basheer Azaad, A.Mano Priya, L. Senthilkumar
Computational and Theoretical Chemistry 1092, 90-107 (2016)37. Impact of heterogeneous passivation of trimethylphosphine oxide and di- methylphospine oxide surface ligands ...
P. Ganesan, L. Senthilkumar
Physica E: Low-dimensional Systems and Nanostructures 83, 284-296 (2016)36. Metal interacted Histidine Dimer- An ETS-NOCV and XANES Study
P Umadevi, L. Senthilkumar
RSC Advances 6, 38919-38930 (2016)35. Calcium Decorated and Doped Phosphorene for Gas Adsorption
M. Lalitha, N.Yuvarani, L. Senthilkumar
Applied Surface Science 377, 311-323 (2016)34. Hydrogen bonds in Zif268 proteins – a theoretical perspective
P Umadevi, L. Senthilkumar
Journal of Biomolecular Structure and Dynamics 34, 1607-1624 (2016)33. Effect of alkyl chain on the NLO property of nonylphenol isomers: a DFT study
V Umadevi, P Umadevi, N Santhanamoorthi, L. Senthilkumar
Monatshefte für Chemie 146, 1983-1994 (2015)32. Multi walled carbon nanotube oxygen sensor: Enhanced oxygen sensitivity at roo temperature and mechanism of
sensing
Raja Vel, M. Lalitha, J.K.Radhakrishnan, L. Senthilkumar, R.T. Rajendra Kumar
ACS Applied Materials & Interfaces 43, 23857–23865 (2015)31. Defect-mediated reduction in barrier for helium tunneling through functionalized graphene nanopores
M. Lalitha, L. Senthilkumar, Suresh K Bhatia
The Journal of Physical Chemistry C 36, 20940–20948 (2015)30. The influence of interfaces and intra-band transitions on the band gap of CdS/HgS and GaN/X (X= InN, In0.33Ga0.67N) ...
P Ganesan, L. Senthilkumar
Physica E: Low-dimensional Systems and Nanostructures 74, 204–212 (2015)29. DFT study on the tautomerism of organic linker 1H- Imidazole-4,5-Tetrazole (HIT)
V. Umadevi, A. Mano Priya, L. Senthilkumar
Computational and Theoretical Chemistry 1068, 149 (2015)28. Encapsulation of fluroethanols in pristine and stone-wales defect boronnitride nanotube- A DFT Study
P Umadevi, T Aiswarya, L. Senthilkumar
Applied Surface Science 345, 369-378 (2015)27. Reaction of OH radical and ozone with methyl salicylate – a DFT study
A. Mano Priya and L. Senthilkumar
Journal of Physical Organic Chemistry 28, 542–553 (2015)26. An experimental and theoretical study of the kinetics of the reaction between 3- hydroxy-3-methyl-2-butanone ...
A. Mano Priya, Gisèle El Dib, L. Senthilkumar, Chantal Sleiman, Alexandre Tomas, André Canosa, Abdelkhaleq Chakir
RSC Advances 5, 26559-26568 (2015)25. DFT study on X−.(H2O)n=1-10 (X=OH, NO2, NO3, CO3) anionic water Cluster
M.Lalitha, L. Senthilkumar
Journal of Molecular Graphics and Modelling 54, 148-163 (2014)24. Influence of metal ions (Zn2+, Cu2+, Ca2+, Mg2+ and Na+) on the water coordinated neutral and zwitterionic...
P. Umadevi, L. Senthilkumar
RSC Advances 4, 49040-49052 (2014)23. Understanding Molecular properties of halogenated cyclohexane- A DFT study
V. Umadevi, N. Santhanamoorthi , L. Senthilkumar
Computational and Theoretical Chemistry 1049, 55-61 (2014)22. Influence of in-plane Stone-Thrower-Wales defects and edge functionalisation on the adsorption of CO2 and H2O...
M. Lalitha, L. Senthilkumar, Suresh K. Bhatia
RSC Advances 4, 39576-39587 (2014)21. Degradation of methyl salicylate through Cl initiated atmospheric oxidation – theoretical study
A.Mano Priya, L. Senthilkumar
RSC Advances 4, 23464-23475 (2014)20. Structure and NLO properties of halogen (F, Cl) substituted formic acid dimers.
P. Umadevi, L. Senthilkumar, M.Gayathri, P. Kolandaivel
Spectrochimica Acta Part A 132, 821-832 (2014)19. Theoretical studies on interaction of anticancer drugs (dacarbazine, procarbazine and triethylenemelamine)...
R. Shankar, R. Radhika, D. Thangamani, L. Senthilkumar, P. Kolandaivel
Molecular Simulation 41, 633-652 (2015)18. Photoactive amorphous molecular materials based on bisquinolinediamines and their synthesis...
Pradip K. Bhowmik, Alexi K. Nedeltchev, Haesook Han, Tae Soo Jo, Jung Jae Koh, L. Senthilkumar, P.Umadevi
Journal of Photochemistry and Photobiology A: Chemistry 283, 45-55 (2014)17. Hydrogen-bonded complexes of serotonin with methanol and ethanol: a DFT study
A.Mano Priya, L. Senthilkumar, P. Kolandaivel
Structural Chemistry 25, 139-157 (2014)16. Hydrogen bond interactions in hydrated 6-selenoguanine tautomers: A theoretical study.
M. Karthika, L. Senthilkumar, R. Kanakaraju
Structural Chemistry 25, 197-213 (2014)15. Density functional theory investigation of cocaine water complexes.
L. Senthilkumar, P. Umadevi, K.N. Sweety Nithya, P. Kolandaivel
Journal of Molecular Modelling 3411-342519 (2013)14. Theoretical investigations on the hydrogen bonding of nitrile isomers with H2O, HF, NH3 and H2S.
V. Umadevi, L. Senthilkumar, P. Kolandaivel
Molecular Simulation 39, 908-921 (2013)13. Spectroscopic investigations and hydrogen bond interactions of 8-aza analogues of xanthine, theophylline and caffeine...
M. Karthika, R. Kanakaraju, L. Senthilkumar
Journal of Molecular Modeling 19, 1835-1851 (2013)12. The Study Of Performance of DFT functional for Van der Waals interactions
P. Kolandaivel, D. Uma maheshwari, L. Senthilkumar
Computational and Theoretical Chemistry 1004, 55-60 (2013)11. A Theoretical study on coordination and bind properties of glutathione with transition metal cations (Cd2+, Hg2+,Zn2+)
R. Shankar, P. Kolandaivel, L. Senthilkumar
Inorganica Chimca Acta 387, 125-136 (2012)10. Theoretical investigations on hydrated 6,8-dithioguanine tautomers
M. Karthika, L. Senthilkumar R. Kanakaraju
Structural Chemistry 23, 1203-1218 (2012)09. Theoretical studies on hydrogen bonding in Caffeine- Theophylline Complexes
M. Karthika, L. Senthilkumar, R.Kanakaraju
Computational and Theoretical Chemistry 979, 54-63 (2012)08. Hydrogen –Bonded Complexes of Nicotine with simple Alcohols.
L. Senthilkumar, Tapan K. Ghanty, P. Kolandaivel and Swapan K. Ghosh
International Journal of Quantum chemistry 112, 2787-2793 (2012)07. Interaction studies of Cysteine with Li+, Na+, K+, Be2+, Mg2+ and Ca2+ metal cation complexes
R. Shankar, P. Kolandaivel, L. Senthilkumar
Journal of Physical Organic Chemistry 24, 553–567 (2011)06. Importance of hydrogen bonding for second harmonic generation effect: Xray diffraction and DFT study ...
P. Hemalatha, V. Veeravazhuthi, D. Velmurugan, L. Senthilkumar, J.Mallika, D. Mangalaraj
Journal of Physics and Chemistry of Solids 70, 322-325 (2009)05. Hydrogen bonding in substituted Formic acid dimers
L. Senthilkumar, Tapan. K. Ghanty, Swapan. K. Ghosh and P.Kolandaivel
Journal Physical Chemistry A 110, 12623-12628 (2006)04. Molecular interaction study of Formohydroxamic acid (FHA) with Water
L. Senthilkumar, P. Kolandaivel
Journal Molecular Structure 791, 149-157 (2006)03. Electron density and energy decomposition analysis in Hydrogen bonded complexes of Azabenzene with water ...
L. Senthilkumar, Tapan. K. Ghanty, Swapan. K. Ghosh, P.Kolandaivel
Journal of Physical Chemistry A 109, 7575-7582 (2005)02. Study of Effective hardness and condensed Fukui functions using AIM, Ab initio and DFTmethods.
L. Senthilkumar, P. Kolandaivel
Molecular Physics 103, 547-556 (2005)01. Post Hartree-Fock and density functional theory studies on tautomerism of 6- thioxanthine in gas phase and in solution.
L. Senthilkumar, P. Kolandaivel
Journal of Molecular Structure (Theochem) 638, 69-78 (2003)
TEACHING
- Energy Storage Materials
- Gas Adsorption and Separation
- Atmospheric Chemical Reaction
- Fuel Cell
0422-2428443
lsenthilkumar@buc.edu.in
9443702753
ACADEMIC IDENTITY Scopus ORCID Google Scholar Publons Vidwan / IRINS
PROJECTS
- Energy Storage Materials
- Gas Adsorption and Separation
- Atmospheric Chemical Reaction
- Fuel Cell
0422-2428443
lsenthilkumar@buc.edu.in
9443702753
ACADEMIC IDENTITY Scopus ORCID Google Scholar Publons Vidwan / IRINS
- Funded Projects
-
National Level
1. DST - SERB
Title of the project : Theoretical Investigations on the pure and metallated Protein-DNA interactions
Funding Agency : Department of Science and Technology – Science and Engineering Research Board
Role: Principal Investigator
Amount : Rs. 8.13 Lakhs
Duration : 2012-2016
2. DST-SERB
Title of the project : Investigations on integrated system of Fluorinated-Graphene+ Amino Acid-based ionic Liquids for CO2 capture
Funding Agency : Department of Science and Technology – Science and Engineering Research Board
Role: Principal Investigator
Amount : Rs. 35.56 Lakhs
Duration : 2017-2020
3. DST-SERB
Title of the project : Metal Organic functionalised 2D MoS2, WS4 based electronic nose towards selective detection of disease related Volatile Organic Compounds
Funding Agency : Department of Science and Technology – Science and Engineering Research Board
Role: Co - Principal Investigator
Amount : Rs. 39.85 Lakhs
Duration : 2018-2021
1. DST-SERB
Title of the project : Investigation on the Reduction of Polysulfide Shuttling Effect Using Electrospun Polymer Composite Membrane Separators for High-Performance Li- S batteries
Funding Agency : Department of Science and Technology – Science and Engineering Research Board
Role: Co - Principal Investigator
Amount : Rs. 37.42 Lakhs
Duration : 2019-2022
2. DST-SERB
Title of the project : "2-Dimensional Materials for Covid-19 Breath Analyzer- A DFT Study"
Funding Agency : Department of Science and Technology – Science and Engineering Research Board
Role: Principal Investigator
Amount : Rs. 29.53 Lakhs
Duration : 2022-2025
- Department Level Projects
-
- Consultancy Projects
-
RESEARCH GUIDANCE
- Energy Storage Materials
- Gas Adsorption and Separation
- Atmospheric Chemical Reaction
- Fuel Cell
0422-2428443
lsenthilkumar@buc.edu.in
9443702753
ACADEMIC IDENTITY Scopus ORCID Google Scholar Publons Vidwan / IRINS
- Ongoing
-
Dr.D.S.Kothari Postdoctoral fellowship scheme
Dr.K.Premalatha
- Completed
-
Title
Name
- Ongoing-05
-
Surya N S
Karthiga M
Kausalya A
Nandhini Panjulingam
Sangeetha T
- Completed-10
-
Thiruppathiraja T
Title of the thesis:
INVESTIGATION ON THE ORR MECHANISM OF FUNCTIONALIZED/HETEROATOM-DOPED CARBON-BASED ELECTROCATALYSTS FOR FUEL CELL APPLICATIONS - A DFT STUDY
Shyama Muraledharan K P
Title of the thesis:
THEORETICAL STUDIES ON MOLECULAR PROPERTIES OF AMINO ACID BASED IONIC LIQUIDS
Meera C
Title of the thesis:
MOLECULAR PROPERTIES AND ADSORPTION OF LITHIUM POLYSULFIDES - A DFT STUDY
A. Agnes Lincy
Title of the thesis: DENSITY FUNCTIONAL THEORY STUDY ON MOLECULAR AND GAS ADSORPTION PROPERTIES OF FUNCTIONALIZED METAL PHTHALOCYANINES
Year of award: 2019B. Aazaad
Title of the thesis: REACTION MECHANISM AND KINETICS OF OXYGENATED VOCs WITH ATMOSPHERIC RADICALS-A QUANTUM CHEMICAL STUDY
Year of award: 2018M. Lalitha
Title of the thesis: THE ADSORPTION PROPERTIES OF GRAPHENE BASED NANOSHEETS:A DFT STUDY
Year of award: 2016P. Ganesan
Title of the thesis: THEORETICAL STUDY ON THE ELECRONIUC PROPERTIES OF CADMIUM BASED LOW -DIMENSIONAL STRUCTURES
Year of award: 2016A. Mano Priya
Title of the thesis: UNSDERSTANDING THE REACTION MECHANISM OF VOLATILE ORGANIC COMPOUNDS USING THEORETICAL AND EXPERIMENTAL METHODS
Year of award: 2016P. Umadevi
Title of the thesis: DENSITY FUNCTIONAL THEORY AND MOLECULAR DYNAMICS STUDY ON AMINO ACIDS PRESENT IN TRANSCRIPTIONAL PROTEINS
Year of award: 2016V. Umadevi
Title of the thesis: COMPUTATIONAL STUDY ON MOLECULAR PROPERTIES OF ASSORTED ORGANIC MOELCULES
Year of award: 2015
- Ongoing
-
- Completed-19
-
Keerthanan R
Title of the thesis:
QUANTUM TUNNELING SEPARATION OF CO2/C2H2 GAS MOLECULES USING COVALENT ORGANIC FRAMEWORK
T. Thiruppathiraja
Title of the thesis: HYDOXYL FUNCTIONALIZED MAGNESIUM PHTHALOCYNINE (MgPcOH) AS CATALYSTR FOR OXYGEN REDUCTION REACTION (ORR)- A DFT STUDY
Year of award: 2018R. Silviya
Title of the thesis: THERMODYNAMICS OF OXYGEN REDUCTION REACTION (ORR) USING MAGNESIUM PTHALOCYNAINE(MgPc) AS CATALYST- A DFT STUDY
Year of award: 2018V. R. Anupriya
Title of the thesis: INTERACTION OF NON-AQUEOUS CISPLATIN WITH COOH/OH FUNCTIONALISED REDUCED GRAPHENE OXIDE
Year of award: 2017G. R. Vidhyashree
Title of the thesis: THEORETICAL STYUDY ON ADSORPTIO PROPERTIES OF EXPLOSIVE MOLECULES ON NON-PLANAR π SURFACES
Year of award: 2016N. Yuvarani
Title of the thesis: CALCIUM DECORATED AND DOPED PHOSPORENE FOR GAS ADSORPTION
Year of award: 2015T. Aiswarya
Title of the thesis: ENCAPSULATION OF FLUOROETHANOLS INSIDE BORON NITRIDE NANOTUBES-A DFT STUDY
Year of award: 2014B. Aazaad
Title of the thesis: QM/MM STUDIES ON THE MOLECULAR PROPERTIES OF Zif268 PROTEIN
Year of award: 2013Sasikala Vekatachalam
Title of the thesis: SPIN-DEPENDENT TUNNELLNG AND POLARISATION IN ZnXSe(X=Mn,Be) NANOSTRUCTURES
Year of award: 2013S. Leelavathi
Title of the thesis: THEORETICAL STUDY ON IMIDAZOLIUM BASED IONIC LIQUIDS IN GAS AND LIQUID PHASE
Year of award: 2012K. Vanitha
Title of the thesis: STUDY ON THE CURRENT-VOLTAGE (I-V) CHARACTERISTICS OF GaAs/InGaAs/AlGaAs/GaAs DOUBLE BARRIER HETEROSTRUCTURE USING TRANSFER MATRIX METHOD
Year of award: 2012N. Ramyadevi
Title of the thesis: INTERACTION OF SCHIFF BASE WITH ALUMINIUM CLUSTERS Aln (n=1-3) A DENSITY FUNCTIONAL THEORY STUDY
Year of award: 2012V. Saranyaa
Title of the thesis: DENSITY FUINCTIONAL THEORY STUDY ON NUCLEOPHILE SUBSTITUTED TRINITROLUENE MOLECULE
Year of award: 2011M. Allimuthu
Title of the thesis: THEORETICAL STUDY ON THE REACTION MECHANISM OF FORMALDOXIME IN INTERSTELLAR SPACE
Year of award: 2011A. Mano Priya
Title of the thesis: HYDROGEN BONDED COMPLEXES OF SEROTONIN WITH METHANOL AND ETHANOL
Year of award: 2011T. Poongodi
Title of the thesis: THEORETICAL STUDY OF BAND GAP IN GaN/InN/GaN QUANTUM DOT QUANTUM WELL
Year of award: 2011K. N. Sweety Nitya
Title of the thesis: DENSITY FUNCTIONAL INVESTIGATION OF COCAINE-WATER COMPLEXES
Year of award: 2010M. Gayathri
Title of the thesis: AB INITIO MP2 AND DFT STUDY OF HALOGEN SUBSTITUTED FORMIC ACID DIMERS
Year of award: 2010D. Uma Maheswari
Title of the thesis: STUDIES OF VAN DER WAALS COMPLEXES USING THE DIFFERENT FUNCTIONALS OF DFT
Year of award: 2010
- Ongoing
-
- Completed-25
-
Swetha R
Title of the thesis: FIRST PRINCIPLES STUDY ON ADSORPTION OF NON-POLAR GAS MOLECULES ON MOLYBDENUM DISULFIDE MONOLAYER Year of award: 2021
Senthan P
Title of the thesis: N-SUBSTITUTED AND FLUORINE FUNCTIONALIZED TRIANGULENE AS A CATALYST FOR OXYGEN REDUCTION REACTION (ORR) -A DFT STUDY
Year of award: 2021
N. Poornima
Title of the thesis: STUDY ON TRANSMISSION OF 4He IN COVALENT ORGANIC FRAMEWORK
Year of award: 2019Aysha Naurein
Title of the thesis: STUDY OF SPIN TRANSFER TORQUE INONE AND TWO DIMENSIONAL SYSTEM
Year of award: 2019T. Pradeep
Title of the thesis: STUDY ON THE TRANSMISSION OF 3He ISOTOPE THROUGH THE COVALENT ORGANIC FRAMEWORK
Year of award: 2019R. K. Maneesha
Title of the thesis: EFFECT OF TEMPERATURE AND ELECTRIC FIELD ON THE CHEMICAL PROPERTIES OF AROMATIC AMINO ACID BASED IONIC LIQUIDS USING DENSITY FUNCTIONAL THEORY
Year of award: 2019Sharon Xavi
Title of the thesis: ADSORPTION OF WATER MOLECULES ON FLUORINATED GRAPHENE SHEET-A DFT STUDY
Year of award: 2019P. Nandhini
Title of the thesis: ADSORPTION PROPERTIES OF SMALL LITHIUM CLUSTERS ON DEFECT (STONE-WALES) GRAPHEN SHEET-A DFT STUDY
Year of award: 2018S. Rajkumar
Title of the thesis: REACTION MECHANISM OF METHYLAMINE (CH2NH2+) WITH ANIONS (CN-OH-)-A DFT STUDY
Year of award: 2018B. Aishwarya
Title of the thesis: ADSORPTION CHARACTERISTICS OF LITHIUM POLYSULFIDES Li2Sx (x=2 to 8) ON 2D SURFACES
Year of award: 2017R. Vedanayagi
Title of the thesis: ELECTRONIC PROPERTIES OF CYSTEINE AND METHIONINE PASSIVATED ZnXSX (x=6,9) CLUSTERS- A DFT STUDY
Year of award: 2017T. Karthika
Title of the thesis: ADSORPTION OF [Bmim]+[TfO]- IONIC LIQUID ON GRAPHYNE AND GRAPHDIYNE SHEETS-A DFT STUDY
Year of award: 2016R. K. Durga
Title of the thesis: DFT STUDY ON ELCTRONIC PROPERTIES OF DOPED Cd6S6 CLUSTERS
Year of award: 2016G. R. Vidhyshree
Title of the thesis: Π BACK DONATION IN TRANSITION METAL INTERACTED GRAPHENE-A THEORETICAL INSIGHT
Year of award: 2015S. Selva Mahadevan
Title of the thesis: DFT STUDY ON THE LITHIATION OF GRAPHENE DERIVATIVES
Year of award: 2015T. Sivaranjani
Title of the thesis: ANALYTICAL SOLUTION TO ONE DIMENSIONAL SCHRODINGER EQUATION WITH RYDDBERG POTRENTIAL FOR SOME DIATOMIC MOLECULES
Year of award: 2013P. Parthiban
Title of the thesis: SHALLOW DONOR BINDING ENERGY IN PbCdSe SPHERICAL QUANTUM DOT QUANTUM WELL
Year of award: 2013V. Sasikala
Title of the thesis: CONSTRUCTION OF WAVEFUNCTION FOR DIATOMIC MOLECULES USING HIGHER ORDER ANHARMONIC OSCILLATOR
Year of award: 2012R. Hariprasad
Title of the thesis: THEORETICAL STUDIES ON THE RAYLEIGH SCATTERING AND POLARISABILITY IN HALOGENATED FORMIC ACID DIMERS
Year of award: 2012K. Chitra
Title of the thesis: DENSITY FUNCTIONAL THEORY STUDY ON TRIAZOL WATER COMPLEXES
Year of award: 2012G. Mahalakshmi
Title of the thesis: DENSITY FUNCTIONAL THEORY STUDY ON TRIAZOL MOLECULE IN AQUEOUS PHASE
Year of award: 2012S. Sudhanthiramani
Title of the thesis: BAND-GAP DETERMINATION OF GaN/InN CORE/SHELL QUANTUM DOT QUANTUM WELL USING EFFECTIVE MASS APPROXIMATION
Year of award: 2011N. Poongodi
Title of the thesis: ENERGY DECOMPOSITION ANALYSIS OF VAN DER WAALS COMPLEXES
Year of award: 2011M. Rajesh
Title of the thesis: ENERGY DECOMPOSITION ANALYSIS ON HYDROGEN BONDED COMPLEXES IN GAS AND AQUEOUS MEDIUM
Year of award: 2011P. Moorthy
Title of the thesis: IMPEDENCE SPECTROSCOPY STUDY AND THERMAL CYCLING EFFECTS OF THERMAL BARRIER COATING OF YTTRIA STABILISED ZIRCONIA COATED ON 9Cr-1-Mo STEEL
Year of award: 2008
INSTITUTIONAL RESPONSIBILITIES
- Energy Storage Materials
- Gas Adsorption and Separation
- Atmospheric Chemical Reaction
- Fuel Cell
0422-2428443
lsenthilkumar@buc.edu.in
9443702753
ACADEMIC IDENTITY Scopus ORCID Google Scholar Publons Vidwan / IRINS
- ADMINISTRATIVE (BHARATHIAR UNIVERSITY)
-
Additional Controller of Examination
Period: August 2018 to Till date
Nature of Responsibility:Deputy Coordinator: UGC-SAP Program
Period: 2015 to Till date
Nature of Responsibility:Member, RUSA
Period: June 2016 to January 2018
Nature of Responsibility:Member, Harassment Complaint Cell
Period: July 2018
Nature of Responsibility:
ALUMINI REFLECTIONS
- Energy Storage Materials
- Gas Adsorption and Separation
- Atmospheric Chemical Reaction
- Fuel Cell
0422-2428443
lsenthilkumar@buc.edu.in
9443702753
ACADEMIC IDENTITY Scopus ORCID Google Scholar Publons Vidwan / IRINS
- Awards
-
- Travel award for oral presentation in the ACS Chemistry Symposium, held at USA during August
22 - 23, 2017 supported by DST - INSA Visiting Fellowship in 2015
- Travel award for poster presentation in the conference on Advanced Methods and Applications in
Quantum Chemistry (AMAQ2012), held at Germany during Marsh 26 - 30, 2012, supported by DST - Travel award for poster presentation in the conference on Molecular aspects of cell biology:
A perspective from Computational Physics, held at Italy during October 11 - 15, 2010,
supported by ICTP - TNSCST Research Fellowship in 2003
- Travel award for oral presentation in the ACS Chemistry Symposium, held at USA during August
- Membership
-
Academic Bodies
Member
Member: Academic Council, Sri GVG Visalakshi College for Women
Period:
AWARDS & MEMBERSHIPS
- Energy Storage Materials
- Gas Adsorption and Separation
- Atmospheric Chemical Reaction
- Fuel Cell
0422-2428443
lsenthilkumar@buc.edu.in
9443702753
ACADEMIC IDENTITY Scopus ORCID Google Scholar Publons Vidwan / IRINS
- Awards
-
- Travel award for oral presentation in the ACS Chemistry Symposium, held at USA during August
22 - 23, 2017 supported by DST - INSA Visiting Fellowship in 2015
- Travel award for poster presentation in the conference on Advanced Methods and Applications in
Quantum Chemistry (AMAQ2012), held at Germany during Marsh 26 - 30, 2012, supported by DST - Travel award for poster presentation in the conference on Molecular aspects of cell biology:
A perspective from Computational Physics, held at Italy during October 11 - 15, 2010,
supported by ICTP - TNSCST Research Fellowship in 2003
- Travel award for oral presentation in the ACS Chemistry Symposium, held at USA during August
- Membership
-
Academic Bodies
Member
Member: Academic Council, Sri GVG Visalakshi College for Women
Period:
VISITS / COLLABORATIONS / OTHERS
- Energy Storage Materials
- Gas Adsorption and Separation
- Atmospheric Chemical Reaction
- Fuel Cell
0422-2428443
lsenthilkumar@buc.edu.in
9443702753
ACADEMIC IDENTITY Scopus ORCID Google Scholar Publons Vidwan / IRINS
- Visits
-
Country Visited : France
Duration of Visit : October 2015
Purpose of Visit : Visiting fellow, Scientific stay at University of Rennes 1Country Visited : USA
Duration of Visit : May-June 2015
Purpose of Visit : Visiting Scientist at Pacific Northwest National LaboratoryCountry Visited : Australia
Duration of Visit : June2013-June 2014
Purpose of Visit : Visiting Academic at INSA Visiting Fellowship Award in to University of
Queensland Brisbane - Collaborators
-
- Others
-