Accepted
a)Structural and electronic properties of solid state (LiMPO4|gamma-Li3PO4)[010] electrochemical interface (M = Fe and Co)
b)Computational investigation on structural and electronic properties of various metal complexes of (2,2';6',2',2"-terpyridine)-4-mercaptobenzoic acid ligand
c)Surface Termination Dependent Atomic Relaxation of RT5 ultra-thin Slabs (R = Y, Ce, Sm and T = Fe, Co, Ni) and their Electronic and Magnetic properties
d)In-situ Conversion of Multiwalled Carbon Nanotubes to GrapheneNanosheets: An Increasing Capacity Anode for Li Ion Batteries
Published
1)Kruthika, G.; Karthikeyan, J.; Murugan, P., Tuning of intrinsic antiferromagnetic to ferromagnetic ordering in microporous alpha-MnO2 by inducing tensile strain. Physical chemistry chemical physics 2017,19, 3770 – 3776.
2)Santhosh, S.; Mathankumar, M.; Chandrasekaran, S. S.; Kumar, A. K. N.; Murugan, P.; Subramanian, B., Effect of Ablation Rate on the Microstructure and Electrochromic Properties of Pulsed-Laser-Deposited Molybdenum Oxide Thin Films. Langmuir 2017,33 (1), 19-33.
3)Laraib, I.; Karthikeyan, J.; Murugan, P, First principles modeling of Mo6S9 nanowires via condensation of Mo4S6 clusters and the effect of iodine doping on structural and electronic properties, Physical Chemistry Chemical Physics 2016, 18, 5471-5476
4)Chandrasekaran, S. S.; Ponnaiah, M. R.; Murugan, P.; Saravanan, P., Magnetic and electronic properties of hardlsoft magnetic interface in (YCo5 vertical bar Co)([0001]) and (YFe5 vertical bar Co)([0001]) superlattices. Journal of Magnetism and Magnetic Materials 2016, 418, 92-98.
5)Ganesan, K.; Murugan, P., First principles calculations on oxygen vacant hydrated alpha-MnO2 for activating water oxidation and its self-healing mechanism. Physical chemistry chemical physics 2016, 18 (32), 22196-202.
6)Kannan, P.; Karthikeyan, J.; Murugan, P.; Rao, T. S.; Rajendran, N., Corrosion inhibition effect of novel methyl benzimidazolium ionic liquid for carbon steel in HCl medium. Journal of Molecular Liquids 2016, 221, 368-380.
7)Laisa, C. P.; Kumar, A. K. N.; Chandrasekaran, S. S.; Murugan, P.; Lakshminarasimhan, N.; Govindaraj, R.; Ramesha, K., A comparative study on electrochemical cycling stability of lithium rich layered cathode materials Li1.2Ni0.13M0.13Mn0.54O2 where M = Fe or Co. Journal of Power Sources 2016, 324, 462-474.
8)Ponnusamy, R.; Selvaraj, S. C.; Ramachandran, M.; Murugan, P.; Nambissan, P. M. G.; Sivasubramanian, D., Diverse Spectroscopic Studies and First-Principles Investigations of the Zinc Vacancy Mediated Ferromagnetism in Mn-Doped ZnONanoparticles. Crystal Growth & Design 2016, 16 (7), 3656-3668.
9)Nallamuthu, S.; Chandrasekaran, S. S.; Murugan, P.; Reiffers, M.; Nagalakshmi, R., Magnetic, thermodynamic and transport properties of novel non-centrosymmetric RCoSi3 (R=Pr, Nd and Sm) compounds. Journal of Magnetism and Magnetic Materials 2016, 416, 373-383.
10)GousePeera, S.; Sahu, A. K.; Arunchander, A.; Bhat, S. D.; Karthikeyan, J.; Murugan, P., Nitrogen and fluorine co-doped graphite nanofibers as high durable oxygen reduction catalyst in acidic media for polymer electrolyte fuel cells, Carbon,2015, 130-142
11)Karthikeyan, J.; Kumar, V.; Murugan, P, The Role of Valence Electron Concentration in Tuning the Structure, Stability, and Electronic Properties of Mo6S9–xIxNanowires, J. Phys. Chem. C,2015,119(24), pp 13979–13985
12)Chandrasekaran, S. S.; Murugan, P.; Saravanan, P.; Kamat, S. V., Effect of adatom deposition on surface magnetism and exchange coupling parameter in (0001) SmCo5 slabs. Journal of Applied Physics 2015,117 (13).
13)Selvakumar, K.; Kumar, S. M. S.; Thangamuthu, R.; Ganesan, K.; Murugan, P.; Rajput, P.; Jha, S. N.; Bhattacharyya, D., Physiochemical Investigation of Shape-Designed MnO2 Nanostructures and Their Influence on Oxygen Reduction Reaction Activity in Alkaline Solution. Journal of Physical Chemistry C 2015,119 (12), 6604-6618.
14)Bijoy, T. K.; Karthikeyan, J.; Murugan, P., Structural stability and bonding nature of Li-Sn-carbon nanocomposites as Li-ion battery anodes: first principles approach. Rsc Advances 2015,5 (1), 123-129.
15)Kim, W.; Tachikawa, T.; Kim, H.; Lakshminarasimhan, N.; Murugan, P.; Park, H.; Majima, T.; Choi, W., Visible light photocatalytic activities of nitrogen and platinum-doped TiO2: Synergistic effects of co-dopants. Applied Catalysis B-Environmental 2014,147, 642-650.
16)Lim, J.; Murugan, P.; Lakshminarasimhan, N.; Kim, J. Y.; Lee, J. S.; Lee, S.-H.; Choi, W., Synergic photocatalytic effects of nitrogen and niobium co-doping in TiO2 for the redox conversion of aquatic pollutants under visible light. Journal of Catalysis 2014,310, 91-99.
17)Muller, J. G.; Karthikeyan, J.; Murugan, P.; Lakshminarasimhan, N., Influence of Structural Polymorphs on Tunable White Light Generation from Orange-Red-Emitting BiPO4:Eu3+ Phosphor by Surface Modification. Journal of Physical Chemistry C 2014,118 (33), 19308-19314.
18)Sehlakumar, K.; Kumar, S. M. S.; Thangamuthu, R.; Kruthika, G.; Murugan, P., Development of shape-engineered alpha-MnO2 materials as bi-functional catalysts for oxygen evolution reaction and oxygen reduction reaction in alkaline medium. International Journal of Hydrogen Energy 2014,39 (36), 21024-21036.
19)Chandrasekaran, S. S.; Murugan, P.; Saravanan, P.; Kamat, S. V., Surface termination dependent structural and magnetic properties of (0001) SmCo5 slabs. Physica Status Solidi B-Basic Solid State Physics 2013,250 (9), 1883-1887.
20)Ilayaraja, N.; Prabu, N.; Lakshminarasimhan, N.; Murugan, P.; Jeyakumar, D., Au-Pt graded nano-alloy formation and its manifestation in small organics oxidation reaction. Journal of Materials Chemistry A 2013,1 (12), 4048-4056.
21)Karthikeyan, J.; Kumar, V.; Murugan, P., Atomic structure and edge magnetism in MoS2+x parallelogram shaped platelets. Physical Chemistry Chemical Physics 2013,15 (31), 13077-13082.
22)Karthikeyan, S.; Deepika, E.; Murugan, P., Structural Stability and Electronic Properties of CdS Condensed Clusters. Journal of Physical Chemistry C 2012,116 (10), 5981-5985.
23)Maheswari, S.; Karthikeyan, S.; Murugan, P.; Sridhar, P.; Pitchumani, S., Carbon-supported Pd-Co as cathode catalyst for APEMFCs and validation by DFT. Physical Chemistry Chemical Physics 2012,14 (27), 9683-9695.
24)Yasumatsu, H.; Murugan, P.; Kawazoe, Y., Nanospace charge polarization of monatomic-layered platinum cluster disk constructed on silicon(111)-7 x 7 surface. Physica Status Solidi B-Basic Solid State Physics 2012,249 (6), 1193-1198.
25)Bahramy, M. S.; Murugan, P.; Das, G. P.; Kawazoe, Y., Effect of electron correlations on structural phase stability, magnetism, and spin-dependent transport in CeMnNi(4). Physical Review B 2010, 81 (16).
26)Oreshkin, A. I.; Bakhtizin, R. Z.; Murugan, P.; Kumar, V.; Fukui, N.; Hashizume, T.; Sakurai, T., Initial stage of the adsorption of fluorofullerene molecules on Si surface. Jetp Letters 2010, 92 (7), 449-452.
27)BAKHTIZIN, R.; ORESHKIN, A.; MURUGAN, P.; KUMAR, V.; SADOWSKI, J.; FUJIKAWA, Y.; KAWAZOE, Y.; SAKURAI, T., Adsorption and electronic structure of single C60F18 molecule on Si(111)-7 x 7 surface. CHEMICAL PHYSICS LETTERS 2009, 482 (4-6), 307-311.
28)MURUGAN, P.; BAHRAMY, M.; KAWAZOE, Y., Magnetic phase stability and spin-dependent transport in CeNi4M (M=Sc, Ti, V, Cr, Mn, Fe, and Co): First-principles study. PHYSICAL REVIEW B 2008, 77 (6).
29)MURUGAN, P.; KUMAR, V.; KAWAZOE, Y.; OTA, N., Lithiated assemblies of metal chalcogenidenanowires. APPLIED PHYSICS LETTERS 2008, 92 (20).
30)BAHRAMY, M.; MURUGAN, P.; DAS, G.; KAWAZOE, Y., Calculations of spin-induced transport in ferromagnets. PHYSICAL REVIEW B 2007, 75 (5).
31)MURUGAN, P.; KUMAR, V.; KAWAZOE, Y.; OTA, N., Ab initio study of structural stability of Mo-S clusters and size specific stoichiometries of magic clusters. JOURNAL OF PHYSICAL CHEMISTRY A 2007, 111 (14), 2778-2782.
32)MURUGAN, P.; KUMAR, V.; KAWAZOE, Y.; OTA, N., Assembling nanowires from Mo-S clusters and effects of iodine doping on electronic structure. NANO LETTERS 2007, 7 (8), 2214-2219.
33)MURUGAN, P.; KUMAR, V.; KAWAZOE, Y.; OTA, N., Understanding the structural stability of compound Mo-S clusters at sub-nanometer level. MATERIALS TRANSACTIONS 2007, 48 (4), 658-661.
34)MURUGAN, P.; SINGH, A.; DAS, G.; KAWAZOE, Y., Structural and magnetic stabilities of cubic and orthorhombic phases of CeMnNi4. APPLIED PHYSICS LETTERS 2006, 89 (22).
35)MURUGAN, P.; BELOSLUDOV, R.; MIZUSEKI, H.; NISHIMATSU, T.; FUKUMURA, T.; KAWASAKI, M.; KAWAZOE, Y., Electronic and magnetic properties of double-impurities-doped TiO2 (rutile): First-principles calculations. JOURNAL OF APPLIED PHYSICS 2006, 99.
36)MURUGAN, P.; KUMAR, V.; KAWAZOE, Y., Thickness dependence of the atomic and electronic structures of TiO2 rutile (110) slabs and the effects on the electronic and magnetic properties of supported clusters of Pd and Rh. PHYSICAL REVIEW B 2006, 73 (7).
37)MURUGAN, P.; KUMAR, V.; KAWAZOE, Y.; OTA, N., Bonding nature and magnetism in small MoX2 (X = O and S) clusters - A comparative study by first principles calculations. CHEMICAL PHYSICS LETTERS 2006, 423 (1-3), 202-207.
38)MURUGAN, P.; BELOSLUDOV, R.; MIZUSEKI, H.; NISHIMATSU, T.; FUKUMURA, T.; KAWASAKI, M.; KAWAZOE, Y., TiO2(rutile) doped with double impurities for fabricating spintronic devices - a combinatorial computational approach. MEASUREMENT SCIENCE & TECHNOLOGY 2005, 16 (1), 242-247.
39)MURUGAN, P.; KUMAR, V.; KAWAZOE, Y., Ab initio study of magnetism in palladium clusters supported on (110) surface of TiO2 rutile. INTERNATIONAL JOURNAL OF MODERN PHYSICS B 2005, 19 (15-17), 2544-2549.
40)MURUGAN, P.; KUMAR, V.; KAWAZOE, Y.; OTA, N., Atomic structures and magnetism in small MoS2 and WS2 clusters. PHYSICAL REVIEW A 2005, 71 (6).
41)MURUGAN, P.; KESAVAMOORTHY, R.; AMIRTHAPANDIAN, S.; SARAVANAN, R.; RAMACHANDRAN, K.; KRISHNAMURTHY, N., Raman study on H+-implantation effects in highly doped n-GaAs. PHYSICA B-CONDENSED MATTER 2002, 315 (1-3), 56-63.
42)MURUGAN, P.; POTHIRAJ, R.; ROY, S.; RAMACHANDRAN, K., Si diffusion in GaAs. BULLETIN OF MATERIALS SCIENCE 2002, 25 (4), 335-340.
43)ROY, S.; MURUGAN, P.; RAMACHANDRAN, K.; KRISHNAMURTHY, N., Local hydrogen and deuterium vibrational modes in Si-doped GaAs. INTERNATIONAL JOURNAL OF MODERN PHYSICS C 2002, 13 (5), 613-623.
44)MURUGAN, P.; RAMACHANDRAN, K.; KRISHNAMURTHY, N., Local hydrogen vibrational modes in GaAs doped with chalcogenides. CRYSTAL RESEARCH AND TECHNOLOGY 2001, 36 (11), 1263-1271.
45)MURUGAN, P.; RAMACHANDRAN, K., Molecular dynamics simulation for self diffusion in GaAs. DEFECTS AND DIFFUSION IN CERAMICS: AN ANNUAL RETROSPECTIVE II 2000, 177-1, 69-72.
46)MURUGAN, P.; RAMACHANDRAN, K., Ga self-diffusion in GaAs. DEFECT AND DIFFUSION FORUM/JOURNAL 1999, 172, 61-69.
47)MURUGAN, P.; RAMACHANDRAN, K., On the specific heat of Al-Si and Al-Ge alloys - A simulation study. BULLETIN OF MATERIALS SCIENCE 1999, 22 (7), 1041-1046.