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Publications:

Peer Reviewed Journal Articles:

  1. Quinn, T.; Kerwin, J; Headrick, S. and Choudhury, P. "C-H Bond Activation on Metal Phthalocyanine Porous Sheet: Catalytic Conversion of Methane to Methanol." (in progress).

  2. Rajapaksha, R.D.; Benet, M.; Champion, C.; Frolova, L.V.; Rogelj, S.; Choudhury, P. and Ranasinghe, M.I. "Spectroscopic Study of Photoactive Antibacterial Agent: 2, 3 - Distyrylindole" (2017) (submitted).

  3. Sonde,S.; Chakrabarti, B.; Liu,Y.; Sasikumar, K.; Lin, J.; Stan, S.; Divan, R.; Ocola, L.; Rosenmann, D.; Choudhury, P.; Sankaranarayanan, S. and Guha, S. "Prediction and demonstration of a CMOS compatible Sn-based resistive non-volatile memory." (2017) (submitted).

  4. Park, J. H.; Ravavarapu, L.; Kwak, I.; Fullerton-Shirey, S. K.; Choudhury, P. and Kummel, A. C. "Growth Mode Transition from Monolayer by Monolayer to Bilayer by Bilayer in Molecularly Flat Titanyl Phthalocyanine Film." J. Phys. Chem. C 121, 6721 (2017).

  5. *Bagusetty, A.; *Choudhury, P.; Derksen, B.; Gatto, E.; Al-saidi, W. A. and Johnson, J. K. " Facile Anhydrous Proton Transport on Hydroxyl Functionalized Graphane." Phys. Rev. Lett. 118, 186101 (2017).(*Authors contributed equally).

  6. Choudhury, P.; Ravavarapu, L.; Dekle, R. and Choudhury, S. "Modulating Electronic and Optical Properties of Monolayer MoS2 Using Non-Bonded Phthalocyanine Molecules." J. Phys. Chem. C 121, 2959 (2017).

  7. Quinn, T. and Choudhury, P. "Direct Oxidation of Methane to Methanol on Single-site Copper-Oxo Species of Copper Porphyrin Functionalized Graphene: A DFT Study." Mol. Catal. 431, 9 (2017).

  8. Mussel, S. and Choudhury, P. "Density Functional Theory Study of FePc Porous Layer Deposited on Graphene Substrate: a Pt-free Electrocatalyst for Hydrogen Fuel Cells." J. Phys. Chem. C 120, 5384 (2016).

  9. Park, J. H.; Movva, H. C.P.; Chagarov, E.; Sardashti, K.; Chou, H.; Kwak, I.; Hu, K.; Fullerton-Shirey, S. K.; Choudhury, P.; Banerjee, S. K. and Kummel, A. C. "In-Situ Observation of Subnanometer Dielectric Growth with Ultrahigh Nucleation Density and Insulating Property on 2D surface." Nano Lett. 15, 6626 (2015).

  10. Park, J. H.; Kwak, I.; Choudhury, P.; Sardashti, K.; Prakash, H. C.; Banerjee, S.; Fullerton, S.and Kummel, A. C. "Self Assembled Ordered Phthalocyanine Monolayers on 2D Semiconductors for Subnanometer Dielectrics ALD Nucleation." TECHCON 2014 (publication ID No.P070743).

  11. Park, J. H.; Choudhury, P. and Kummel, A. C. "NO Adsorption on Copper Phthalocyanine Functionalized Graphite. " J. Phys. Chem. C 118, 10076 (2014).

  12. Mandeltort, L.; Choudhury, P.; Johnson, J. K. and Yates, J. T. Jr. “Methyl Radical Reactivity on the Basal Plane of Graphite.” J. Phys. Chem. C 116, 18347 (2012).

  13. Mandeltort, L.; Choudhury, P.; Johnson, J. K. and Yates, J. T. Jr. “Reaction of the Basal Plane of Graphite with the Methyl Radical.” J. Phys. Chem. Lett. 3, 1683 (2012).

  14. Büttner, M.; Choudhury, P.; Johnson, J. K. and Yates, J. T. Jr., “Vacancy Clusters as Entry Ports for Cesium Intercalation in Graphite.” Carbon 49, 3937 (2011).

  15. Choudhury, P. and Johnson, J. K. “Methyl Chloride Reactions on Lithiated Carbon Nanotubes: Lithium as Both Reactant and Catalyst.” J. Phys. Chem. C 115, 11694 (2011).

  16. Mandeltort, L.; Büttner, M.; Yates, J. T. Jr.; Choudhury, P.; Xiao, L. and Johnson, J. K., “Carbon-Chlorine Bond Scission in Li-Doped Single-Walled Carbon Nanotubes—Reaction of CH3Cl and Lithium.” J. Phys. Chem. C 114 17148 (2010).

  17. Choudhury, P.; Bhethanabotla, V. R. and Stefanakos, E. “First Principles Study to Identify the Reversible Reaction Step of a Multinary Hydrogen Storage "Li-Mg-B-N-H" System.” Int. J. Hydrogen Energy 35 9002 (2010).

  18. Choudhury, P.; Bhethanabotla, V. R. and Stefanakos, E. “Manganese Borohydride as a Hydrogen Storage Candidate: First-principles Crystal Structure and Thermodynamics.” J. Phys. Chem. C 113, 13416 (2009).
  19. Choudhury, P.; Srinivasan, S.; Bhethanabotla, V. R.; Goswami, Y.; McGrath, K. and Stefanakos, E. “Nanocatalyzed Li-Mn-B-H System as a New Hydrogen Storage Candidate.” Int. J. Hydrogen Energy 34, 6325 (2009).

  20. Choudhury, P.; Bhethanabotla, V. R. and Stefanakos, E. “Identification of a New Stable Phase for High Capacity Hydrogen Storage Material Zn(BH4)2 From Density Functional Theory and Lattice Dynamics.” Phys. Rev. B 77, 134302 (2008).

  21. Choudhury, P.; Bhethanabotla, V. R. and Stefanakos, E. “Ni Induced Destabilization Dynamics of Crystalline Zinc Borohydride.” Appl. Phys. Lett. 92, 134101 (2008).

  22. Chowdhury, S.; Choudhury, P. and Kumar, S. “Monte-Carlo Simulation of Different Dispersed Liquid-Liquid Systems.” Indian Chem. Engr. 47(1), 18-24 (2005).

  23. Prasad, S.; Choudhury, P. and Chowdhury, S. “Fluidised Bed Systems, Design of Air Distribution Plate.” Chem. Eng. World 38(7), 71-73 (2003).

Conference/symposium/Invited Talk:

  1. Quinn, T.; Shackelford, J.; Headrick, S. and Choudhury, P. "Single-Atom Active Sites for Natural Gas to Liquid Fuel Conversion." AIChE Annual Meeting, 2016, San Francisco, CA.

  2. Bagusetty, A.; Choudhury, P.; Saidi, W. A.; Derksen, B.; Gatto, E. and Johnson, J. K. "Dynamics of Anhydrous Proton Transport on the Surface of Functionalized Graphene." AIChE Annual Meeting, 2016, San Francisco, CA.

  3. Mussell, S. and Choudhury, P. "Density Functional Theory Study of FePc Functionalized Graphene: A Potential Non-precious Pt-free Cathode Catalyst for Fuel Cell." AIChE Annual Meeting November 2015, Salt Lake City, Utah.

  4. Choudhury, P.; Park, J. H. and Kummel, A. C. "DFT Study of ALD Nucleation of Sub-nanometer Scale Dielectric Formation on TiOPc/Graphene for Low Power Electronics Beyond CMOS." AIChE Annual Meeting November 2015, Salt Lake City, Utah.

  5. Headrick, S. and Choudhury, P. "Methane to Methanol Chemistry on TMPc Functionalized Graphene." AIChE Annual Meeting November 2015, Salt Lake City, Utah.

  6. Ravavarapu, L. and Choudhury, P. "Self-assembled Multilayer Stacking of Titanyl Phthalocyanines on Graphene Surface." AIChE Annual Meeting November 2015, Salt Lake City, Utah.

  7. Bagusetty, A.; Johnson, J. K.; Choudhury, P.; Gatto, E. and Derksen, B. "Investigation of Anhydrous Proton Transport Mechanism on Functionalized Graphene." AIChE Annual Meeting November 2015, Salt Lake City, Utah.

  8. Mussell, S. and Choudhury, P. "Oxygen Reduction Reaction on Pt-free Catalyst Iron Phthalocyanine Functionalized Graphene for Fuel Cells." Student Research Symposium April 2015, New Mexico Tech, Socorro, NM.

  9. Park, J. H.; Kwak, I.; Choudhury, P.; Sardashti, K.; Prakash, H. C.; Banerjee, S.; Fullerton, S.and Kummel, A. C. "Self Assembled Ordered Phthalocyanine Monolayers on 2D Semiconductors for Subnanometer Dielectrics ALD Nucleation." Spring MRS meeting, April 2015, San Francisco, CA. (Invited talk).

  10. Choudhury, P. and Kummel, A. C. "Band Gap Engineering of 2D Semiconductor Materials via Atomic Layer Deposition of TiOPc on Graphene and MoS2" AVS 61st International Symposium & Exhibition, November 9, 2014, Baltimore, MD.

  11. Park, J. H.; Kwak, I.; Choudhury, P.; Sardashti, K.; Prakash, H. C.; Banerjee, S.; Fullerton, S.and Kummel, A. C. "Self Assembled Ordered Phthalocyanine Monolayers on 2DSemiconductors for Subnanometer Dielectrics ALD Nucleation." TECHCON 2014, Austin, TX.

  12. Kummel, A. C. and Choudhury, P. "MPc Functionalization of 2D Semiconductors." Telluride Sci Res. Cent. Workshop on Semicodncutor Surface Chemistry, 2014.

  13. Kummel, A. C. and Choudhury, P. " Atomic Study of Chemical Sensing on MPc." Eighth International Conference on Porphyrins and Phthalocyanines (ICPP-8), 2014.

  14. Mussel, S. and Choudhury, P. "Oxygen Reduction Reaction on Pt-free Catalyst Iron Phthalocyanine Functionalized Graphene for Fuel Cells." AIChE Annual Meeting 2014, Atlanta, GA.

  15. Headrick, S. and Choudhury, P. "Catalytic Conversion of Methane to Methanol on Metal Phthalocyanine Functionalized Graphene." AIChE Annual Meeting 2014, Atlanta, GA.

  16. Park, J. H.; Royer, J. E.; Chagarov, E.; Kaufman-Osborn, T.; Edmonds, M.; Kent, T.; Lee, S.; Trogler, W. C.; Choudhury, P. and Kummel, A. C. "Atomic Imaging of Chemical Sensing Mechanisms on Copper Phthalocyanine on Au and HOPG Substrates." ICPP-8 2014, Istanbul, Turkey. (Invited talk).

  17. Choudhury, P, Park, J. H. and Kummel, A. C. "A Combined Theoretical and Experimental Study of Modulation of the Fermi Level of MPc via NO adsorption" AIChE Annual Meeting 2013, San Francisco, CA.

  18. Choudhury, P.; Al-saidi, W. A. and Johnson, J. K., "Facile Anhydrous Proton Transport on Hydroxyl Functionalized Graphene" AIChE Annual Meeting 2013, San Francisco, CA.

  19. Choudhury, P.; Johnson, J. K.; Mandeltort, L. and Yates, J. T. Jr.," Chemical Reaction of •CH3 with the Basal Plane of Graphite" AIChE Annual Meeting 2012, Pittsburgh, PA.

  20. Choudhury, P. and Johnson, J. K., "Hydroxyl Functionalized Graphene: A Promising Anhydrous Proton Exchange Membrane." AIChE Annual Meeting 2012, Pittsburgh, PA.

  21. Choudhury, P. and Johnson, J. K., “Proton Transport Across a Hydroxyl Functionalized Graphene Membrane.” AIChE Annual Meeting 2011, Minneapolis, MN.

  22. Choudhury, P.; Johnson, J. K.; Mandeltort, L.; Büttner, M. and Yates, J. T. Jr., “Design of Advanced Sorbent Materials with Enhanced Sorption Capability and Chemical Reactivity.” Adsorption at the Nanoscale: A New Frontier in Fundamental Science and Applications 2011, Columbia, MO.

  23. Johnson, J. K.; Chen, D. and Choudhury, P., “Functionalized Nanoporous Sorbents: From Entrance Effects to Reactive Centers.” Adsorption at the Nanoscale: A New Frontier in Fundamental Science and Applications 2011, Columbia, MO.

  24. Choudhury, P. and Johnson, J. K., “Chloromethane Reactions (C—Cl Bond Scission) on Lithiated Carbon Nanotubes: Lithium as Both Reactant and Catalyst.” PCCS Spring Meeting 2011, Pittsburgh, PA.

  25. Choudhury, P. and Johnson, J. K., “Capturing Toxic Chemicals at Low Concentrations Using Lithiated SWNT: A Combined Experimental and Theoretical Study.” AIChE Annual Meeting 2010, Salt lake city, Utah.

  26. Choudhury, P. “Capturing toxic chemicals at low concentrations using lithiated SWNT: A combined experimental and theoretical study”. PA-OH-WV Simulators Meeting, 2010, Pittsburgh, PA.

  27. Shankar, C.; Kumar, P.; Choudhury, P. and Johnson, J. K., “Modeling Adsorption and Transport in Nanotubes with Realistic Defects and Entrance Functional Groups.” AIChE Annual Meeting 2010, Salt lake city, Utah.

  28. Choudhury, P.; Bhethanabotla, V. R. and Stefanakos, E., “Borohydride for Reversible Hydrogen Storage.” MRS Meeting 2009, Boston, MA.

  29. Choudhury, P.; Srinivasan, S.; Bhethanabotla, V. R. and Stefanakos, E., “LiMn(BH4)3 for On-board Hydrogen Storage.” AIChE Annual Meeting 2009, Nashville, TN.

  30. Choudhury, P.; Balakrishnan, N; Bhethanabotla, V. R. and Stefanakos, E., “Complex Borohydride for Reversible Hydrogen Storage.” AIChE Annual Meeting 2009, Nashville, TN.

  31. Choudhury, P.; Bhethanabotla, V. R. and Stefanakos, E., “Dehydrogenation Thermodynamics of Hydrogen Storage Material Manganese Borohydride: First-Principles Study.” AIChE Annual Meeting 2008, Philadelphia, PA.

  32. Choudhury, P.; Srinivasan, S.; Bhethanabotla, V. R. and Stefanakos, E., “New Material Li-Mn-B-H System as Hydrogen Storage Candidate.” AIChE Annual Meeting 2008, Philadelphia, PA.

  33. Balakrishnan, N; Choudhury, P.; Bhethanabotla, V. R. and Joseph, B., Density Functional Theory Studies on a Reversible Hydrogen Storage "Li-Mg-B-N-H" system. AIChE Annual Meeting 2008, Philadelphia, PA.

  34. Choudhury, P.; Srinivasan, S.; Bhethanabotla, V. R. and Stefanakos, E., “Transition Metal Complex Hydrides for Vehicular Application.” FLAVS Meeting 2008, Orlando, FL.

  35. Choudhury, P.; Bhethanabotla, V. R. and Stefanakos, E., “Ab-initio Calculations for Ni Additives in Zn(BH4)2.” AIChE Annual Meeting 2007, Salt lake city, Utah.

  36. Choudhury, P.; Bhethanabotla, V. R. and Stefanakos, E., “Thermodynamic Stability of Hydrogen Storage Material Zn(BH4)2: First Principles Study.” AIChE Annual Meeting 2007, Salt lake city, Utah.

  37. Choudhury, P.; Srinivasan, S.; Bhethanabotla, V. R. and Stefanakos, E., “Synthesis and Characterization of Pure Zn(BH4)2 Single Crystal.” AIChE Annual Meeting 2007, Salt lake city, Utah.

  38. Choudhury, P.; Bhethanabotla, V. R. and Stefanakos, E., “Ab-initio Study of High Theoretical Hydrogen Storage Capacity Material Zn(BH4)2.” Florida Annual Meeting and Exposition (FAME) of the American Chemical Society 2007, Orlando, FL.

  39. Choudhury, P.; Mohanty, B. and Nagpal, S., “Development of Mathematical Modeling for the Extraction of H2S from LPG Using DEA as Solvent.” Proceeding of Separations in Process Industry (SPI) - 2003, ITBHU, Varanasi, India.

  40. Choudhury, P.; Chowdhury, S. and Mohanty, B., “Target Minimum Area and Cost of Shell and Tube Heat Exchangers Using Bells’ Method.” Proceeding of XIIIth National conference of ISME-2003, IIT Roorkee, Roorkee, India.