Peer Reviewed Journal Articles

• Helsel, N. and Choudhury, P. "Cooperative Agreement of Binuclear 2D Metal Organic Framework (MOF) Sites for Superior Bifunctional Oxygen Electrocatalysis" J. Phys. Chem. C (2024) (accepted). DOI: 10.1021/acs.jpcc.3c07547.
• Swamy, A.; Dolce, D.  and Choudhury, P. "Atomistic Insight into Dendrite Growth Orientation Transition in Al-Cu Alloy" Mater. Today Commun. 37, 107404 (2023). 
• Helsel, N. and Choudhury, P. “Investigation of bifunctionality of FePc-functionalized graphene for enhanced ORR/OER activity” Mol. Catal.  545, 113213 (2023).
• Helsel, N. and Choudhury, P. "Enhancing the Stability of a Pt-free ORR Catalyst via Reaction Intermediates." Adv. Mater. Interfaces 10, 2202132 (2023).
• Mantos, P.; Ferrone, C.; Ohta, T.; Choudhury, P. and Chowdhury, S. ^"Interaction Mechanism of Transition Metal Phthalocyanines on Transition Metal Nitride Supports." Appl. Surf. Sci. 614, 156204 (2023).
• Dolce, D.; Swamy, A.; Hoyt, J. and Choudhury, P. "Computing the Solid-Liquid Interfacial Free Energy and Anisotropy of the Al-Mg System Using a MEAM Potential with Atomistic Simulations." Comput. Mater. Sci. 217, 111901 (2023).

• Hale, W. and Choudhury, P. "Thermodynamic Stability and Intrinsic Activity of La_1-xSr_xMnO₃ (LSM) as an Efficient Bifunctional OER/ORR Electrocatalysts: A Theoretical Study." Catalysts 12 (3), 260 (2022). 
• Helsel, N. and Choudhury, P. "Regulating Electronic Descriptors for the Enhanced ORR Activity of FePc-Functionalized Graphene via Substrate Doping and/or Ligand Exchange: A Theoretical Study." J. Phys. Chem. C 126, 4458–4471 (2022). (selected for the JPCC cover page)
• Filonowich, D.; Luna, M.; Quinn, T. and Choudhury, P. "Electronic Descriptor of Single Metal-Oxo Species on Phthalocyanine and Porphyrin Functionalized Graphene Towards Methane Activation Process." J. Phys. Chem. C 124, 4502-4510 (2020). 
• Wang, H.; Zhou, M.; Choudhury, P. and Luo, H. "Perovskite oxides as bifunctional oxygen electrocatalysts for oxygen evolution/reduction reactions-a mini review." Appl Mater Today 16, 56 (2019).
• Xu, W.; Apodaca, N.; Wang, H.; Yan, L.; Chen, G.; Zhou, M.; Ding, D.; Choudhury, P. and Luo, H. "A-site Excessive (La_0.8Sr_0.2)_1+xMnO₃ Perovskite Oxides for Bifunctional Oxygen Catalyst in Alkaline Media." ACS Catalysis 9, 5074 (2019).
• Sonde, S.; Chakrabarti, B.; Liu, Y.; Sasikumar, K.; Lin, J.; Stan, L.; Divan, R.; Ocola, L. E.; Rosenmann, D.; Choudhury, P.; Ni, K.; Sankaranarayanan, S.K.R.S.; Datta, S. and Guha, S. "Silicon compatible Sn-based resistive switching memory." Nanoscale 10, 9441 (2018).
• 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" J. Phys. Chem. A 122, 937 (2018).
• 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).
• *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).
• 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).
• 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).
• 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).
• 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).
• 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).
• Park, J. H.; Choudhury, P. and Kummel, A. C. "NO Adsorption on Copper Phthalocyanine Functionalized Graphite. " J. Phys. Chem. C 118, 10076 (2014).

Prior to New Mexico Tech

• 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).
• 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).
• 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).
• 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).
• 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).
• 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).
• 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).
• 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).
• 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).
• Choudhury, P.; Bhethanabotla, V. R. and Stefanakos, E. “Ni Induced Destabilization Dynamics of Crystalline Zinc Borohydride.” Appl. Phys. Lett. 92, 134101 (2008).
• Chowdhury, S.; Choudhury, P. and Kumar, S. “Monte-Carlo Simulation of Different Dispersed Liquid-Liquid Systems.” Indian Chem. Engr. 47, 18 (2005).
• Prasad, S.; Choudhury, P. and Chowdhury, S. “Fluidised Bed Systems, Design of Air Distribution Plate.” Chem. Eng. World 38, 71 (2003).

Conference/Symposium/Invited Talk

• Bagusetty, A.; Choudhury, P. and Johnson, J. K.; " Hydroxylated Graphane : An Anhydrous Proton Exchange Membrane." AIChE Annual Meeting, 2017, Minneapolis, MN.
• Quinn, T.; Kerwin, J.; Headrick, S.; Mussel, S. and Choudhury, P. " Computational Screening and Characterization of Single-Site Active Porous Surface for Natural Gas to Liquid Feedstock Conversion Process." AIChE Annual Meeting, 2017, Minneapolis, MN.
• Choudhury, P. and Greigo, C. "Theoretical Study of a High Performance Thermoelectric Material: Stanene." AIChE Annual Meeting, 2017, Minneapolis, MN.
• Johnson, J. K.; Bagusetty, A.; Derksen, B.; Choudhury, P. " Interfacial Transport of Protons on a 2-Dimensional Functionalized Graphane Surface." AIChE Annual Meeting, 2017, Minneapolis, MN.
• Choudhury, P. "Engineering of 2-D Surfaces: Applications in Electronics and Energy."NM-AVS, 2017, Albuquerque, NM.
• 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.
• 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.
• 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.
• 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.
• Headrick, S. and Choudhury, P. "Methane to Methanol Chemistry on TMPc Functionalized Graphene." AIChE Annual Meeting November 2015, Salt Lake City, Utah.
• Ravavarapu, L. and Choudhury, P. "Self-assembled Multilayer Stacking of Titanyl Phthalocyanines on Graphene Surface." AIChE Annual Meeting November 2015, Salt Lake City, Utah.
• 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.
• 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.
• 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).
• 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.
• 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.
• Kummel, A. C. and Choudhury, P. "MPc Functionalization of 2D Semiconductors." Telluride Sci Res. Cent. Workshop on Semicodncutor Surface Chemistry, 2014.
• Kummel, A. C. and Choudhury, P. " Atomic Study of Chemical Sensing on MPc." Eighth International Conference on Porphyrins and Phthalocyanines (ICPP-8), 2014.
• 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.
• Headrick, S. and Choudhury, P. "Catalytic Conversion of Methane to Methanol on Metal Phthalocyanine Functionalized Graphene." AIChE Annual Meeting 2014, Atlanta, GA.
• 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).
• 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.
• 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.
• 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.
• Choudhury, P. and Johnson, J. K., "Hydroxyl Functionalized Graphene: A Promising Anhydrous Proton Exchange Membrane." AIChE Annual Meeting 2012, Pittsburgh, PA.
• Choudhury, P. and Johnson, J. K., “Proton Transport Across a Hydroxyl Functionalized Graphene Membrane.” AIChE Annual Meeting 2011, Minneapolis, MN.
• 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.
• 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.
• 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.
• 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.
• 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.
• 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.
• Choudhury, P.; Bhethanabotla, V. R. and Stefanakos, E., “Borohydride for Reversible Hydrogen Storage.” MRS Meeting 2009, Boston, MA.
• Choudhury, P.; Srinivasan, S.; Bhethanabotla, V. R. and Stefanakos, E., “LiMn(BH4)3 for On-board Hydrogen Storage.” AIChE Annual Meeting 2009, Nashville, TN.
• Choudhury, P.; Balakrishnan, N; Bhethanabotla, V. R. and Stefanakos, E., “Complex Borohydride for Reversible Hydrogen Storage.” AIChE Annual Meeting 2009, Nashville, TN.
• 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.
• 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.
• 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.
• Choudhury, P.; Srinivasan, S.; Bhethanabotla, V. R. and Stefanakos, E., “Transition Metal Complex Hydrides for Vehicular Application.” FLAVS Meeting 2008, Orlando, FL.
• 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.
• 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.
• 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.
• 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.
• 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.
• 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.