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Publications in Peer Reviewed Journals

  1. K. Shah, N. Balsara, S. Banerjee, M. Chintapalli, W. Chiu, A. Cocco, I. Lahiri, S. Martha, A. Mistry, P. Mukherjee, V. Ramadesigan, C. Sharma, V. Subramanian, S. Mitra, A. Jain, “State-of-the-art and future research needs for multiscale analysis of Li-ion cells”, Journal of Electrochemical Energy Conversion and Storage, vol. 14, 020801-17, 2017
  2. SM Mortuza, and S. Banerjee, “Atomistic modeling – Impact and opportunities in thin-film photovoltaic solar cell technologies”, Molecular Simulation, vol. 43 (10-11), pp. 774 – 796, 2017, Open Access Link
  3. A. Dive, M.K. Song, and S. Banerjee, “Physisorption of solvated polysulfide chains on graphene oxides with varied topologies and functional groups”, Journal of Physical Chemistry C, vol. 121(9), pp. 5089–5098, 2017
  4. SM Mortuza, MFN Taufique, and S. Banerjee, “Solution processed deposition of electron transport layers on perovskite crystal surface – A modeling based study”, Applied Surface Science, vol. 394, pp. 488-497, 2017
  5. MFN Taufique, SM Mortuza, and S. Banerjee, “A mechanistic insight into attachment of fullerene derivatives on crystal faces of methyl ammonium lead iodide based perovskites”, Journal of Physical Chemistry C, vol. 120, pp. 22426−22432, 2016
  6. S. Kazemiabnavi, Z. Zhang, K. Thornton, and S. Banerjee, “Electrochemical stability window of ionic liquids as the electrolytes for lithium batteries”, Journal of Physical Chemistry B, vol. 120, pp. 5691−5702, 2016
  7. S. Banerjee, I. Dutta, and B.S. Majumdar, “A molecular dynamics evaluation of the effect of dopant addition on grain boundary diffusion in tin: Implication for whisker growth”, Materials Science & Engineering A,vol. 666, pp. 191–198, 2016
  8. K. Yoo, A. Dive, S. Kazemiabnavi, S. Banerjee, and P. Dutta, “Effects of operating temperature on the electric performance of a li-air battery operated with ionic liquid electrolyte”, Electrochimica Acta, vol. 194, pp. 317–329, 2016
  9. K. Yoo, A. Deshpande, S. Banerjee and P. Dutta, “Electrochemical model for ionic liquid electrolytes in lithium batteries”, Electrochimica Acta, vol. 176, pp. 301-310, 2015
  10. S.M. Mortuza, L.K. Kariyawasam and S. Banerjee, “Combined deterministic-stochastic framework for modeling the agglomeration of colloidal particles”, Physical Review E, vol. 92, 013304, 2015
  11. S. Kazemiabnavi, P. Dutta, and S. Banerjee, “A density functional theory based study of the electron transfer reaction at the cathode-electrolyte interface in lithium-air battery”, Physical Chemistry Chemical Physics, vol. 17, pp. 11740 – 11751, 2015
  12. S. Kazemiabnavi, P. Dutta, and S. Banerjee, “Density functional theory based study of the electron transfer reaction at the lithium metal anode in lithium-air battery with ionic liquid electrolytes”, Journal of Physical Chemistry C, vol. 118, pp. 27183–27192, 2014
  13. M. Mostafa, and S. Banerjee, “Predictive model for alignment and deposition of functionalized nanotubes using applied electric field”, Journal of Applied Physics, vol. 116, 244309, 2014
  14. M. Mostafa, and S. Banerjee, “Effect of functional group topology of carbon nanotubes on electrophoretic alignment and properties of deposited layer”, Journal of Physical Chemistry C, vol. 118, pp. 11417-11425, 2014
  15. K. Yoo, S. Banerjee and P. Dutta, ”Modeling of volume change phenomena in a Li-air battery”, Journal of Power Sources, vol. 258, pp. 340-350, 2014
  16. P.P.S. Saeed Abadi, M.R. Maschmann, S.M. Golam Mortuza, S. Banerjee, J.W. Baur, S. Graham, and B.A. Cola, “Reversible tailoring of mechanical properties of carbon nanotube forests by immersing in solvents”, Carbon, vol. 69, pp. 178–187, 2014
  17. A. Deshpande, L. Kariyawasam, P. Dutta, and S. Banerjee, “Enhancement of lithium ion mobility in ionic liquid electrolytes in presence of additives”, Journal of Physical Chemistry C, vol. 117, pp. 25343−25351, 2013
  18. SM Mortuza, and S. Banerjee, “Solvent-based preferential deposition of functionalized carbon nanotubes on substrates”, Journal of Applied Physics, 114, 074301, 2013
  19. S. Banerjee, “Molecular dynamics study of self-agglomeration of charged fullerenes in solvents”, Journal of Chemical Physics, vol. 138, 044318, 2013
  20. SM Mortuza, and S. Banerjee, “Molecular modeling study of agglomeration of [6,6]-phenyl-C61-butyric acid methyl ester in solvents”, Journal of Chemical Physics, 137, 244308, 2012
  21. S. Banerjee, and H. Briesen, “Molecular dynamics simulations of glycine crystal-solution interface”, Journal of Chemical Physics, vol. 131, 184705, 2009
  22. G. Balasubramanian, S. Banerjee, and I.K. Puri, “Unsteady nanoscale thermal transport across a solid-fluid interface”, Journal of Applied Physics, vol. 104, 064306, 2008
  23. S. Banerjee, S. Naha, and I.K. Puri, “Molecular simulation of growth mode during catalytic synthesis of carbon nanotubes”, Applied Physics Letters, vol. 92, 233121, 2008
  24. S. Banerjee, and I.K. Puri, “Enhancement in hydrogen storage in carbon nanotubes under modified conditions”, Nanotechnology, vol. 19, 155702, 2008
  25. S. Banerjee, S. Murad and I.K. Puri, “preferential ion and water intake using charged carbon nanotubes”, Chemical Physics Letters, vol. 434, pp. 292-296, 2007
  26. S. Banerjee, S. Murad and I.K. Puri, “Hydrogen storage in carbon nanostructures: possibilities and challenges for fundamental molecular simulations”, Proceedings of the IEEE, vol. 94(10), pp. 1806-1814, 2006
  27. S. Banerjee, D. Sanyal, S. Sen, and I.K. Puri, “A methodology to control direct-fired furnaces”, International Journal of Heat and Mass Transfer, vol. 47(24), pp. 5247-5256, 2004

Book Chapter

  1. SM Mortuza, and S. Banerjee, In: “Organic Solar Cells: Materials, Devices, Interfaces and Modeling”, Editor: Qiquan Qiao, Publisher: CRC Press, ISBN 9781482229837, 2015.

Publications in Peer Reviewed Conference Proceedings

  1. A. Dive, and S. Banerjee, “Graphene/Sulfur and Graphene oxide (GO)/Sulfur composite cathodes for high performance Li-S batteries: A molecular dynamics study”, Proceedings of IMECE 2016, ASME IMECE, Phoenix, 2016
  2. K. Yoo, S. Banerjee, and P. Dutta, “Electrochemical model for ionic liquid electrolytes in lithium batteries”, Proceedings of IMECE 2015, ASME IMECE, Houston, 2015
  3. L.M. Meinshausen, S. Banerjee, I. Dutta, B. Majumdar, “Mitigation of tin whisker growth by dopant addition”, Proceedings of ASME InterPACK/ICNMM 2015, San Francisco, 2015.
  4. S. Banerjee, “A group project based approach to induce learning in engineering thermodynamics”, Proceedings of the ASEE’s 122nd Annual Conference and Exposition, Seattle, 2015
  5. A. Deshpande, P. Dutta, and S. Banerjee, “Solubility of oxygen in lithium-air battery electrolytes: a molecular dynamics study”, Proceedings of IMECE 2014, ASME IMECE, Montreal, 2014
  6. K. Yoo, S. Banerjee, and P. Dutta, “A mathematical model for Li-air battery considering volume change phenomena”, Proceedings of IMECE 2014, ASME IMECE, Montreal, 2014
  7. S. Kazemiabnavi, P. Dutta, and S. Banerjee, “Ab initio modeling of the electron transfer reaction rate at the electrode-electrolyte interface in lithium-air batteries”, Proceedings of IMECE 2014, ASME IMECE, Montreal, 2014
  8. SM Mortuza, C. Cisneros, M. Bartolo, and S. Banerjee, “Molecular modeling of nanoparticles and conjugated polymers during synthesis of photoactive layers of organic photovoltaic solar cells”, Proceedings of AICHE Annual Meeting, San Francisco, 2013
  9. SM Mortuza, and S. Banerjee, “Controlled self-assembly of functionalized carbon nanotubes on silicon substrates”, Proceedings of IMECE 2013, ASME IMECE, San Diego, 2013
  10. S. Banerjee, “Molecular simulation of the self-agglomeration of carbon nanostructures in various chemical environments”, Proceedings of IMECE 2012, ASME IMECE, Houston, 2012
  11. G. Balasubramanian, S. Banerjee, and I.K. Puri, “Interfacial thermal resistance in nanoscale heat transfer”, Proceedings of IMECE 2008, ASME IMECE, Boston, 2008
  12. S. Banerjee, S. Murad, and I.K. Puri, “Carbon nanotubes as nano-pumps: a molecular dynamics investigation”, Proceedings of ASME ICNMM2006, Fourth International Conference on Nanochannels, Microchannels and Minichannels, Limerick, Ireland, 2006
  13. S. Banerjee, S. Sen, I.K. Puri, and S. Sanyal, “Control strategy for direct fired furnaces”, 3rd Joint Technical Meeting of the US Sections of The Combustion Institute, Paper PG12, Chicago, 2003

Presentations at Conferences (Presenter Underlined)

  1. A. Dive, C. King, S. Beckman, and S. Banerjee, “Molecular dynamics simulations of glassy solid electrolytes for sodium ion batteries”, MRS Spring Meeting, Phoenix, 2017
  2. M.F.N. Taufique, S.M. Mortuza, and S. Banerjee, “Multiscale modeling based study of solution processed deposition of electron transport layers on perovskite crystal surface”, ASME IMECE, Phoenix, 2016
  3. A. Dive, C. King, S. Beckman, S. Martin, and S. Banerjee, “Molecular dynamics simulations of glassy solid electrolytes for sodium ion batteries”, ASME IMECE, Phoenix, 2016
  4. C. King, A.M. Dive, S.W. Martin, S.P. Beckman and S. Banerjee, “Molecular dynamics simulations of Na2S + SiS2 glassy solid electrolytes”, Materials Science & Technology 2016, Salt Lake City, Utah, 2016
  5. S. Banerjee, “Designing molecularly-tailored electrolytes for next-generation lithium batteries”,  Theory and Application of Computational Chemistry – TACC2016, Seattle, 2016
  6. S. Banerjee, “Multiscale modeling towards design of molecularly-tailored electrolytes”, NSF-IUSSTF Workshop on Analysis of Multiphysics Phenomena in Li-ion Cells held in Indian Institute of Technology, Bombay, 2016
  7. A. Dive, R. Gonzalez, and S. Banerjee, “Graphene oxide-sulfur composite cathodes for high performance Li-S batteries: A molecular dynamics study”, MRS Spring Meeting, Phoenix, 2016
  8. I. Dutta, B. Talebanpour, S. Bhassyvasantha, L. Meinshausen, S. Banerjee, B. Majumdar, “Mitigation of Sn whisker growth by dopant addition”, 2016 TMS Annual Meeting & Exhibition, Nashville, 2016
  9. L. Meinshausen, A. Buckel, S. Banerjee, I. Dutta, B. Majumdar, “Sn Whisker Mitigation Studies Using Dopant Additions”, Materials Science & Technology 2015, Columbus, OH, 2015
  10. SM Mortuza and Banerjee, “A novel multiscale model for agglomeration of nanoparticles during solvent based processing of thin nanocomposite films”, ASME IMECE, Houston, 2015
  11. SM Mortuza, and S. Banerjee, “Modeling the self-assembly of nanoparticles in solvents based on molecular dynamics and kinetic Monte Carlo: A novel approach”, AICHE Annual Meeting, Salt Lake City, 2015
  12. S. Banerjee, and P. Dutta, “Electron transfer reactions at the anode-electrolyte interface in lithium-air batteries – a first principles study”, ASME Applied Mechanics and Materials Conference, Seattle, 2015 (Presented by: Aniruddha Dive)
  13. S.M. Golam Mortuza and S. Banerjee, “Understanding self-assembly of organic nanoparticles during solution processing of thin films”, ASME Applied Mechanics and Materials Conference, Seattle, 2015
  14. S.M. Mortuza and S. Banerjee, “Modeling electrophoretic alignment and deposition of carbon nanotubes on substrates”, ASME Applied Mechanics and Materials Conference, Seattle, 2015
  15. SM Mortuza, and S. Banerjee, “Multi-scale modeling of nanoparticle aggregation during solution processing of photoactive layers”, MRS Spring Meeting, San Francisco, 2015
  16. S. Kazemiabnavi, P. Dutta, and S. Banerjee, “Theoretical investigation of the electron transfer reaction at the cathode-electrolyte interface in lithium-air battery”, MRS Spring Meeting, San Francisco, 2015
  17. SM Mortuza, and Banerjee, “Modeling fullerene aggregation in electrolyte solutions: A combined deterministic-stochastic framework”, 249th ACS National Meeting & Exposition, Denver, 2015
  18. S. Banerjee, “A group project based approach to induce learning in engineering thermodynamics”, ASEE’s 122nd Annual Conference and Exposition, Seattle, 2015
  19. L.M. Meinshausen, S. Banerjee, I. Dutta, B. Majumdar, A. Buckel, “Effect of solute addition and grain structure modification on boundary diffusion and whisker growth in tin coatings”, 2015 TMS Annual Meeting & Exhibition, Orlando, FL, 2015
  20. SM Mortuza, and Banerjee, “Molecular modeling study of benzo dithiophene based polymers and organic nanoparticles for organic photovoltaic solar cells”, 247th ACS National Meeting & Exposition, Dallas, 2014
  21. M. Mostafa, and S. Banerjee, “Molecular dynamics study of electrophoretic alignment of carbon nanotubes and their deposition on substrates”, 247th ACS National Meeting & Exposition, Dallas, 2014
  22. S. Banerjee, “Modeling ionic liquid based electrolytes for lithium batteries”, ASME IMECE 2013, ASME IMECE, San Diego, 2013
  23. SM Mortuza, and Banerjee, “Modeling of nanoparticles and conjugated polymers in aromatic solvents to mimic synthesis of photoactive layers of organic photovoltaic solar cells”, ASME IMECE 2013, San Diego, 2013
  24. D. Binion, and S. Banerjee, “Modeling-based study of the effect of diluents on transport properties of ionic liquid electrolytes”, MRS Spring Meeting, San Francisco, 2013
  25. M. Bartolo, SM Mortuza, and Banerjee, “Modeling Donor-Acceptor Copolymers Used in the Photoactive Layer of Organic Photovoltaic Cells”, UCSD Summer Research Conference, San Diego, 2013
  26. SM Mortuza, M. Bartolo, and Banerjee, “Molecular modeling of nanoparticles and conjugated polymers during synthesis of photoactive layers of organic photovoltaic solar cells”, AICHE Annual Meeting, San Francisco, 2013
  27. SM Mortuza, and Banerjee, “Molecular morphology of acceptor nanoparticles in organic photovoltaic solar cells”, ASME IMECE 2012, ASME IMECE, Houston, 2012
  28. S. Banerjee, and H. Briesen, “Multiscale simulation of crystal growth”, Jahrestreffen der ProcessNet Fachausschüsse Kristallisation und Fluidverfahrenstechnik, Dortmund, March 2009
  29. S. Banerjee, S. Naha, and I.K. Puri, “A numerical prediction of growth mode during catalytic synthesis of carbon nanotubes”, The Mechanics Conference to Celebrate the 100th Anniversary of The Department of Engineering Science and Mechanics, Virginia Tech, Blacksburg, 2008
  30. G. Balasubramanian, S. Banerjee, and I.K. Puri, “Molecular dynamics investigation of interfacial heat transfer at the nanoscale”, The Mechanics Conference to Celebrate the 100th Anniversary of The Department of Engineering Science and Mechanics, Virginia Tech, Blacksburg, 2008
  31. S. Banerjee, and I.K. Puri, “Hydrogen transport and storage inside carbon nanotubes in presence of encapsulated metal ions”, 60th Annual Meeting of the APS DFD, Salt Lake City, 2007
  32. S. Banerjee, and I.K. Puri, “Hydrogen transport and storage inside carbon nanotubes in presence of encapsulated metal ions”, Fall Fluid Mechanics Symposium, Virginia Tech, 2007
  33. S. Banerjee, S. Murad and I.K. Puri, “Influence of electrostatic field on storage of hydrogen in carbon nanotubes”, Paper # Q20.49, MRS Fall Meeting, Boston, 2006
  34. S. Banerjee, S. Murad, and I.K. Puri, “Molecular dynamics investigation of hydrogen transport and storage inside carbon nanotubes in presence of electrostatic field”, 7th World Congress on Computational Mechanics, Los Angeles, 2006
  35. S. Naha, S. Banerjee, and I.K. Puri, “A multiscale approach to the modeling and analysis of growth rate of carbon nanostructures” The 43rd Annual Technical Meeting of the Society of Engineering Science, University Park, Pennsylvania, 2006
  36. S. Banerjee, S. Murad, and I.K. Puri, “Molecular dynamics investigation of ionic flow and separation by carbon nanotube electrodes”, American Physical Society Division of Fluid Dynamics Meeting, Chicago, 2005

Poster Presentation (Presenter Underlined)

  1. M.F.N. Taufique, S.M. Mortuza, and S. Banerjee., “Modeling the growth mechanism and morphology of solution-processed monolayers on perovskite surfaces for solar cell applications”, MME Student Day, 2017
  2. M.F.N. Taufique, S.M. Mortuza, A. Dive and S. Banerjee., “Modeling the growth mechanism and morphology of solution-processed monolayers on perovskite surfaces for solar cell applications”, MRS Spring Meeting, Phoenix, 2017 (Nominated for Best Poster Award)
  3. A. Dive, and S. Banerjee, “A molecular dynamics study of graphene oxide (GO)/sulfur composite cathodes for Li-S batteries”, Electrochemical Society’s 18th International Meeting on Lithium Batteries, Chicago, 2016
  4. M.F.N. Taufique, S.M. Mortuza, and S. Banerjee, “Modeling deposition of [6,6]-phenyl-C61-butyric acid methyl ester based electron transport layer on perovskite crystal surface”, MME Student Day, 2016
  5. R. Gonzalez, A. Dive, and S. Banerjee, “Modeling next generation lithium-sulfur batteries”, SURCA 2016, WSU
  6. R. Gonzalez, A. Dive, and S. Banerjee, “Modeling next generation lithium-sulfur batteries”, LSAMP Conference, Seattle 2016 (Best Poster Award)
  7. S.M. Mortuza, M.F.N. Taufique, and S. Banerjee, “Modeling deposition of [6,6]-phenyl-C61-butyric acid methyl ester based electron transport layer on perovskite crystal surface”, MRS Spring Meeting, Phoenix, 2016
  8. M.F.N. Taufique, S.M. Mortuza, and S. Banerjee, “Modeling of solution processed [6,6]-phenyl-C61-butyric acid methyl ester thin films deposition on perovskite crystal surface”, MSEP Research Exposition, Pullman, 2016
  9. SM Mortuza, and Banerjee, “Self-assembled molecular aggregates during solution-processing of thin films”, ASME IMECE, Houston, 2015
  10. SM Mortuza, L. Kariyawasam and S. Banerjee, “Solution based processing of nanoparticles relevant to organic electronics: A modeling based study”, ASME Applied Mechanics and Materials Conference, Seattle, 2015 (Graduate student SM Mortuza won travel award from the National Science Foundation to present this poster)
  11. SM Mortuza and S. Banerjee, “Molecular association of [6,6]-phenyl-C61-butyric acid methyl esters (PCBM) with conjugated polymers relevant to organic photovoltaic cells”, MSEP Research Exposition, Pullman, 2015
  12. SM Mortuza, L. Kariyawasam and S. Banerjee, “Solution based processing of nanoparticles relevant to organic electronics: A modeling based study”, MME Student Day, 2015
  13. S. Kazemiabnavi, and S. Banerjee, “Ab initio modeling of reaction rates at electrode-electrolyte interfaces of lithium-air batteries”, MME Student Day, 2014 (Best Poster Award)
  14. S. Kazemiabnavi, K. Yoo, A. Deshpande, P. Dutta, and S. Banerjee, “Design of molecularly tailored electrolytes for high performance lithium batteries” JCATI Research Symposium, Pullman, WA, April 2014
  15. A. Deshpande, J. Avila, and S. Banerjee, “Evaluation of the ionic conductivity of nitrile-based liquid electrolytes for lithium-ion batteries”, ASME IMECE 2013, ASME IMECE, San Diego, 2013
  16. SM Mortuza and Banerjee, “Identifying novel materials for organic photovoltaic solar cells using molecular simulations”, 3M Science and Engineering Faculty Day, Minneapolis, 2013
  17. SM Mortuza, and Banerjee, “Molecular association of [6,6]-phenyl-C61-butyric acid methyl esters (PCBM) with conjugated polymers relevant to organic photovoltaic cells”, MRS Spring Meeting, San Francisco, 2013
  18. S.M. Golam Mortuza, and S. Banerjee, “Molecular simulation of nanoparticle-polymer systems relevant to organic photovoltaic solar cells”, FOMMS meeting, Mt. Hood, Oregon, 2012
  19. S. Banerjee, and H. Briesen, “Molecular dynamics simulation of crystal growth”, Max-Planck Institute Evalierung, Magdeburg, Germany, 2009
  20. A. Voigt, S. Banerjee, and H. Briesen, “A multiscale simulation model to simulate crystal growth”, Poster at the 40th BACG conference, 04.-06.09.2009, Bristol/UK.
  21. S. Banerjee, and H. Briesen, “Multiscale simulation of crystal growth”, PCP Workshop, Bad Harzburg, Germany, 2008
  22. S. Banerjee, S. Naha, and I.K. Puri, “Synthesis of carbon nanotubes and their hydrogen storage capacity”, Dean’s Forum on Energy Security and Sustainability, Virginia Tech, Blacksburg, 2006