University of Bremen                                          Hybrid Materials Interfaces Group Fachbreich Produktionstechnik

HMI Group
Dr. Anees Pazhedath
  

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List of publications

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1. P. Anees, M. C. Valsakumar, Sharat Chandra, and B. K. Panigrahi, Ab initio study on stacking sequences, free energy, dynamical stability and potential energy surfaces of graphite structures, Model. Simul. Mater. Sci. Eng., 22, 035016, (2014)
2. P. Anees, M. C. Valsakumar, and B. K. Panigrahi, Temperature dependent phonon frequency shift and structural stability of free standing graphene: A spectral energy density analysis, 2D Mater., 2, 035014, (2015)
3. N. Yedukondalu, G. Vaitheeswaran, P. Anees and M. C. Valsakumar, Phase stability and lattice dynamics of ammonium azide under hydrostatic compression, Phys. Chem. Chem. Phys., 17, 29210, (2015)
4. P. Anees, M. C. Valsakumar, and B. K. Panigrahi, Effect of strong phonon-phonon coupling on temperature dependent structural stability and frequency shift of 2D h-BN, Phys. Chem. Chem. Phys., 18, 2672, (2016)
5. P. Anees, M. C. Valsakumar, and B. K. Panigrahi, Anharmonicity of optic modes in monolayer MoS2, Appl. Phys. Lett., 108, 101902, (2016)
6. P. Anees, M. C. Valsakumar, and B. K. Panigrahi, Delineating the role of ripples on thermal expansion of 2D honeycomb materials: graphene, 2D h-BN and monolayer(ML)-MoS2, Phys. Chem. Chem. Phys., 19, 10518, (2017)
7. M. Sabeena, S. Murugesan, P. Anees, E. Mohandas and M. Vijayalakshmi, Crystal structure and bonding characteristics of transformation products of bcc-β in TiMo alloys, J. Alloy. Comp., 705, 769, (2017)
8. K. A. Irshad, P. Anees, Shradhanjali Sahoo, N. R. Sanjay Kumar, Velaga Srihari, S. Kalavathi, and N. V. Chandra Shekar, Pressure induced structural phase transition in rare earth sesquioxide Tm2O3: Experiment and ab initio calculations, J. Appl. Phys. 15, 124, (2018)
9. Atahar Parveen, Narsimha Rao Elaprolu, Adivaiah Bushnagar, P. Anees, G. Vaitheeswaran, Topological behaviour of ternary non-symmorphic crystals KZnX (X= P, As, Sb) under pressure and strain: A first principles study, Phys. Chem. Chem. Phys. 20, 5084, (2018)
10. Gopinath Sahoo, S. R. Polaki, P. Anees, Subrata Ghosh, Sandip Dhara and M. Kamruddin, Insights into the electrochemical capacitor performance of transition metal–vertical graphene nanosheet hybrid electrodes, Phys. Chem. Chem. Phys., 21, 25196, (2019)
11. P. C. Sreeparvathy, V. Kanchana, P. Anees, and G. Vaitheeswaran, Emergence of strain induced two dimensional metallic state in ReS2, J. Solid State Chem., 269, 138, (2019)
12. Vineet Kumar Sharma, P. C. Sreeparvathy, P. Anees, V. Kanchana, Transport and topological properties of ThOCh (Ch: S, Se and Te) in bulk and monolayer: a first principles study, J. Phys.: Condens. Matter 31, 435504, (2019)
13. Rajalakshmi Kesavan, Fathy M.Eldesoky Attia, Rui Su, P. Anees, Ahmed El-Shafei, Airody Vasudeva Adhikari, J, Asymmetric Dual Anchoring Sensitizers/Co-Sensitizers for DSSC Application: An Insight into Various Fundamental Processes inside the Cell, J. Phys. Chem. C, 123, 24383, (2019)
14. MS Manju, Siby Thomas, P Anees, Sang Uck Lee, KM Ajith, Strain induced structural transformation, mechanical and phonon stability in Silicene derived 2D-SiB, J Ind Eng Chem, 90, 399, (2020)
15. K.A. Irshad, P. Anees, R. Rajitha, T.R. Ravindran, V. Srihari, S. Kalavathi, N.V. Chandra Shekar, Anomalous lattice compression in the hexagonal La2O3– A high pressure X-ray diffraction, Raman spectroscopy and first principle study, J. Alloy. Comp., 822, 153657, (2020)
16. P. Anees, Thermodynamic stability and vibrational anharmonicity of black phosphorene – beyond quasi-harmonic analysis, J. Phys.: Condens. Matter, 32, 335402, (2020)
17. S. Samantaray, P. Anees, B. P. Vinayan, Ramaprabhu.S, Graphene supported MgNi alloy nanocomposite as a room temperature hydrogen storage material – Experiments and theoretical insights, Acta Mater., 215, 117040, (2021)
18. S. R. Polaki, Gopinath Sahoo, P. Anees, N. G. Krishna, M. Kamruddin and S. Dhara, Engineering the edge-terminations and defect-density to enhance the electrochemical capacitance Performance of vertical graphene nanosheets, App. Sur. Sci. 545, 149045, (2021)
12. G.Sahoo, S. R Polaki, P. Anees, N. G. Krishna, Tom Mathews, M.Kamruddin, Synergetic effect of NiOx decoration and oxygen plasma treatment on electrochemical capacitor performance of vertical graphene nanosheets, ACS Appl. Energy Mater., 4, 791, (2021)
19. P. Anees, Substrate-adatom interface engineering of transition metal decorated boron-doped graphene sheet for enhanced adsorption of Xe and Kr - A systematic ab initio study, Adv. Theory Simul., 4, 2100187, (2021)
20. Reshma P. R., Anees Pazhedath, Shyam Kanta Sinha, Arup Dasgupta, Ganesan Karuppiah, Arun K. Prasad, and Sandip Dhara, Electronic and vibrational decoupling in chemically exfoliated bilayer thin two dimensional V2O5, J . Phys. Chem. Lett. 12, 9821, (2021)
21. S. C. Rakesh Roshan, N. Yedukondalu, Rajmohan Muthaiah, K. Lavanya, P. Anees, R. Rakesh Kumar, T. Venkatappa Rao, Lars Ehm, John B. Parise, Anomalous Lattice Thermal Conductivity in Rocksalt IIA-VIA Compounds, ACS Appl. Energy Mater., 5, 1, 882, (2022)
22. Rajitha Rajan ,T.R. Ravindran ,K. Nagarjuna, Anuj A. Vargeese, P. Anees , V. Venkatesan, V. Srihari, Phase transformation of heat resistant energetic materials BDNAPM studied by Raman spectroscopy and X-ray diffraction, J. Mat. Sci., 57, 6115 (2022)

Conference Proceedings and Workshops

1. P. Anees, K. Gururaj, and M. C. Valsakumar, Computation of thermal conductivity: A non-equilibrium approach, AIP Conf.Proc., 1447, 1011, (2012)
2. P. Anees, M. C. Valsakumar and B. K. Panigrahi, High temperature phonon dispersion in graphene using classical molecular dynamics simulations, AIP Conf. Proc. 1591, 1070, (2014)
3. P. Anees, M. C. Valsakumar, Sharat Chandra and B. K. Panigrahi, Effect of temperature on stability of bilayer graphite structures : Lattice dynamics and molecular dynamics study, Asia Sweden Meeting on understanding Functional Materials From Lattice Dynamics (ASMFLD), IIT-Guwahati, Assam, India, 9-6 January, (2014)
4. P. Anees, M. C. Valsakumar and B. K. Panigrahi, Extracting temperature dependent phonon frequency shift, linewidth and coupling of normal modes using classical molecular dynamics simulations, symposium on molecular simulations (Anessur rahaman Day), University of Hyderabad, India, 24 August, (2014) (invited talk)
5. P. Anees, M. C. Valsakumar and B. K. Panigrahi, Temperature dependent phonon frequencies in monolayer MoS2, Multiscale Modeling of Materials and Devices (MMMD), BARC, Mumbai, India, 30 October-2 November, (2014)
6. P. Anees, M. C. Valsakumar and B. K. Panigrahi, Delineating the role of ripples on thermal expansion properties of free-standing graphene, International conference on "Nanoscience, Nanotechnology & Advanced Materials" (NANOS-2015), GITAM University, Visakhapatnam, India, 14-17 December, (2015)
7. Psi-K Quantum-ESPRESSO school on ab-initio thermal transport, Université Pierre et Marie Curie - Paris, France, 27-30 June, (2016)
8. N. Yedukondalu, G. Vaitheeswaran, P. Anees, M. C. Valsakumar, Computational study of solid energetic oxidizer ammonium nitrate under high pressure, AIP Conf.Proc., 1832, 090040, (2017)
9. P. Anees, M.C. Valsakumar and B. K. Panigrahi, Consequences of phonon anharmonicity on structural, thermal and vibrational properties of 2D materials, School on Electron-Phonon Physics from First Principles, ICTP, Trieste, Italy, 19-23 March, (2018)
10. Sai Smruti Samantaray, P. Anees, S. Ramaprabhu, DFT Investigation of Mg-Ni alloy decorated graphene as a room temperature hydrogen storage material, First DAE- Computational Chemistry Symposium, BARC, Mumbai, India, 7-9, November, (2019)
11. P. Anees, Enhanced fission gas adsorption on metal decorated graphene sheet – A First principle study, First DAE- Computational Chemistry Symposium, BARC, Mumbai, India, 7-9, November, (2019)
12. P. Anees, Introduction to computational materials science – an overview, TEQIPIII sponsored Five-day online Faculty Development Programme on “Frontiers in Physics Research” organized by Department of Physics, GCE, Bargur, TN, India, 10-14, August, (2020) (invited talk)
13. P. Anees, Effect of fission gases on thermal transport in UO2, 2nd Indian Materials Conclave (MRSI-AGM), CSIR – CentralGlass & Ceramic Research Institute, Kolkata, India, 11-14, February, (2020)