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Staff information


Praveen Thallapally

Materials Synthesis
Pacific Northwest National Laboratory
PO Box 999
MSIN: K4-18
Richland, WA 99352


Prior to his appointment at PNNL, Dr. Thallapally was a postdoctoral research fellow at University of Missouri-Columbia working with Prof. Jerry L. Atwood. During his stay at Columbia, he developed porous organic and metal organic frameworks for Gas (Hydrogen, Methane and Acetylene) storage and separation (CO2) applications. He is major contributor for DOE - EERE collaborative project with PNNL on crystalline solids for Hydrogen storage applications and played a major role in The Alliance for Collaborative Research in Alternative Fuel Technology (ALL-CRAFT) program on materials for Methane Storage Applications. His work has been highlighted in several external press including Science Editorial Choice [Science 2005], Chemical Engineering News, several highly accessed and hot articles in Angew Chem Int. Ed., and Chemical Communications. Dr. Thallapally currently is a scientist working on the development of Hierarchical porous materials for Energy and Environmental applications including gas storage, separation heating and cooling and so on.

Research Interests

  • Hierarchical Porous Materials
  • Nanostructured Materials
  • Gas storage and separation
  • Carbon Sequestration
  • Crystal engineering, Supramolecular Chemistry and Nanotechnology
  • Catalysis
  • Crystallography

Education and Credentials

  • Ph.D Crystal Engineering, University of Hyderabad, INDIA 2002
  • M.S., Physical Organic Chemistry, University of Hyderabad, INDIA 1997
  • B.S., Chemistry, Osmania University, INDIA 1995

Affiliations and Professional Service

  • Topic Editor for Crystal Growth & Design (ACS)
  • Advisory Board Member for CrystEngComm (RSC)
  • Guest Editor for Catalysis Today (Elsevier)
  • Community Board of Editor, Cryst. Grow. & Des Network (ACS)
  • American Chemical Society (ACS) member
  • Materials Science and Technology (MS&T) member
  • Materials Research Science member
  • Peer Reviewer for Nature, Nature Materials (NPG), Science (AAAS), Angew Chem. Int Ed., (Wiley), Chem Eur J., (Wiley), Asian J. Chem (Wiley), Eur J. Inorg. Chem (Wiley), The Journal of the American Chemical Society (ACS), Materials Chemistry (ACS), Inorganic Chemistry (ACS) Langmuir (ACS), J. Physc. Chem. C. (ACS), Crystal Growth & Design (ACS), Journal of Materials Chemistry (RSC); Chemical Communications (RSC); Dalton Transactions (RSC) and CrystEngComm (RSC)

Awards and Recognitions

  • 2012: CO2 capture work and image was featured in Presidents Budget report
  • 2011: Featured at DOE website “10 questions to Material Scientist”
  • 2008:“Ronald L. Brodzinski Award for Early Career Exceptional Achievement” at Pacific Northwest National Laboratory.
  • 2008-2010: Travel Grant from Department of Science and Technology (DST), India in collaboration with PNNL.
  • 1999: Senior Research Fellowship, Council of Scientific and Industrial Research (CSIR), India.
  • 1997: Junior Research Fellowship, Council of Scientific and Industrial Research (CSIR), India.
  • 1997: Graduate Aptitude Test in Engineering (GATE) Research Fellowship, India

PNNL Publications


  • Lucero J, S Elsaidi, R Anderson, T Wu, DA Gmez-Gualdrn, PK Thallapally, and MA Carreon. 2018. "Time Dependent Structural Evolution of Porous Organic Cage CC3." Crystal Growth & Design 18(2):921-927.  doi:10.1021/acs.cgd.7b01405
  • Sinnwell MA, JL Atwood, and PK Thallapally. 2018. "Sorption of CO2 in a hydrogen-bonded diamondoid network of sulfonylcalix[4]arene." Supramolecular Chemistry 30(5-6):540-544.  doi:10.1080/10610278.2018.1436709
  • Terban MW, D Banerjee, S Ghose, BK Medasani, AK Shukla, BA Legg, Y Zhou, Z Zhu, ML Sushko, JJ De Yoreo, J Liu, PK Thallapally, and SL Billinge. 2018. "Early stage structural development of prototypical zeolitic imidazolate framework (ZIF) in solution." Nanoscale 10(9):4291-4300.  doi:10.1039/C7NR07949D


  • Banerjee D, SK Elsaidi, and PK Thallapally. 2017. "Xe Adsorption and Separation Properties of a Series of Microporous Metal-Organic Frameworks (MOFs) with V-Shaped Linkers." Journal of Materials Chemistry A 5(32):16611-16615.  doi:10.1039/c7ta02746j
  • Elsaidi SK, D Ongari, W Xu, MH Mohamed, M Haranczyk, and PK Thallapally. 2017. "Xenon Recovery at Room Temperature using Metal Organic Frameworks." Chemistry - A European Journal 23(45):10758-10762.  doi:10.1002/chem.201702668
  • Elsaidi SK, MA Sinnwell, D Banerjee, A Devaraj, RK Kukkadapu, TC Droubay, Z Nie, L Kovarik, V Murugesan, S Manandhar, MI Nandasiri, BP McGrail, and PK Thallapally. 2017. "Reduced Magnetism in Core-Shell Magnetite@MOF Composites." Nano Letters 17(11):6968-6973.  doi:10.1021/acs.nanolett.7b03451
  • McGrail BP, PK Thallapally, J Liu, and SK Nune. 2017. Magnetic Partitioning Nanofluid for Rare Earth Extraction from Geothermal FluidsPNNL-26721, Pacific Northwest National Laboratory, Richland, WA. 
  • Nandi S, S Collins, D Chakraborty, D Banerjee, PK Thallapally, TK Woo, and R Vaidhyanathan. 2017. "Ultralow Parasitic Energy for Postcombustion CO2 Capture Realized in a Nickel lsonicotinate Metal-Organic Framework with Excellent Moisture Stability." Journal of the American Chemical Society 139(5):1734-1737.  doi:10.1021/jacs.6b10455
  • Subrahmanyam KS, I Spanopoulos, J Chun, BJ Riley, PK Thallapally, PN Trikalitis, and MG Kanatzidis. 2017. "Chalcogenide Aerogels as Sorbents for Noble Gases (Xe, Kr)." ACS Applied Materials & Interfaces 9(39):33389-33394.  doi:10.1021/acsami.6b15896
  • Wu T, X Feng, SK Elsaidi, PK Thallapally, and MA Carreon. 2017. "Zeolitic Imidazolate Framework-8 (ZIF-8) Membranes for Kr/Xe Separation." Industrial Engineering Chemistry Research 56(6):1682-1686.  doi:10.1021/acs.iecr.6b04868
  • Zong Z, SK Elsaidi, PK Thallapally, and MA Carreon. 2017. "Highly Permeable AIPO-18 Membranes for N-2/CH4 Separation." Industrial Engineering Chemistry Research 56(14):4113-4118.  doi:10.1021/acs.iecr.7b00853


  • Banerjee D, CM Simon, AM Plonka, RK Motkuri, J Liu, X Chen, B Smit, JB Parise, M Haranczyk, and PK Thallapally. 2016. "Metal-Organic Framework with Optimal Adsorption, Separation, and Selectivity towards Xenon." Nature Communications 7:Article No. ncomms11831.  doi:10.1038/ncomms11831
  • Banerjee D, DS Kim, MJ Schweiger, AA Kruger, and PK Thallapally. 2016. "Removal of TcO4- ions from Solution: Materials and Future Outlook." Chemical Society Reviews 45(10):2724-2739.  doi:10.1039/c5cs00330j
  • Banerjee D, SK Elsaidi, BA Aguila, B Li, DS Kim, MJ Schweiger, AA Kruger, CJ Doonan, S Ma, and PK Thallapally. 2016. "Removal of Pertechnetate-Related Oxyanion from Solution Using Functionalized Hierarchical Porous Frameworks." Chemistry - A European Journal 22(49):17581-17584.  doi:10.1002/chem.201603908
  • Banerjee D, W Xu, Z Nie, LEV Johnson, C Coghlan, ML Sushko, DS Kim, MJ Schweiger, AA Kruger, CJ Doonan, and PK Thallapally. 2016. "Zirconium-Based Metal-Organic Frameworkds for Removal of Perrhenate from Water." Inorganic Chemistry 55(17):8241-8243.  doi:10.1021/acs.inorgchem.6b01004
  • Elsaidi SK, MH Mohamed, JS Loring, BP McGrail, and PK Thallapally. 2016. "Coordination Covalent Frameworks: A New Route for Synthesis and Expansion of Functional Porous Materials." ACS Applied Materials & Interfaces 8(42):28424-28427.  doi:10.1021/acsami.6b11116
  • Feng X, Z Zong, SK Elsaidi, JB Jasinski, PK Thallapally, and MA Carreon. 2016. "Kr/Xe Separation over Chabazite Zeolite Membranes." Journal of the American Chemical Society 138(31):9791-9794.  doi:10.1021/jacs.6b06515
  • Mohamed MH, SK Elsaidi, T Pham, KA Forrest, HT Schaef, A Hogan, L Wojtas, W Xu, B Space, MJ Zaworotko, and PK Thallapally. 2016. "Hybrid Ultramicroporous Materials for Selective Xe Adsorption and Separation." Angewandte Chemie International Edition 55(29):8285-8289.  doi:10.1002/anie.201602287
  • Patil RS, D Banerjee, CM Simon, JL Atwood, and PK Thallapally. 2016. "Noria, a highly Xe-selective Nanoporous Organic Solid." Chemistry - A European Journal 22(36):12618-12623.  doi:10.1002/chem.201602131
  • Patil RS, D Banerjee, JL Atwood, and PK Thallapally. 2016. "Gas Sorption and Storage Properties of Calixarenes." Chapter 39 in Calixarenes and Beyond, ed. Placido Neri, Jonathan L. Sessler, Mei-Xiang Wang, pp. 1037-1056.  Springer International Publishing, Cham, Switzerland.  doi:10.1007/978-3-319-31867-7_39
  • Zhang W, D Banerjee, J Liu, HT Schaef, JV Crum, CA Fernandez, RK Kukkadapu, Z Nie, SK Nune, RK Motkuri, KW Chapman, MH Engelhard, JC Hayes, KL Silvers, R Krishna, BP McGrail, J Liu, and PK Thallapally. 2016. "Redox-Active Metal-Organic Composites for Highly Selective Oxygen Separation Applications." Advanced Materials 28(18):3572-3577.  doi:10.1002/adma.201600259


  • Banerjee D, A Cairns, J Liu, RK Motkuri, SK Nune, CA Fernandez, R Krishna, DM Strachan, and PK Thallapally. 2015. "Potential of Metal-Organic Frameworks for Separation of Xenon and Krypton." Accounts of Chemical Research 48(2):211-219.  doi:10.1021/ar5003126
  • Banerjee D, J Liu, and PK Thallapally. 2015. "Separation of C2 Hydrocarbons by Porous Materials: Metal Organic Frameworks as Platform." Comments on Inorganic Chemistry 35(1):18-38.  doi:10.1080/02603594.2014.976704
  • Elsaidi SK, MH Mohamed, HT Schaef, A Kumar, M Lusi, T Pham, KA Forrest, B Space, W Xu, GJ Halder, J Liu, PK Thallapally, and MJ Zaworotko. 2015. "Hydrophobic Pillared Square Grids for Selective Removal of CO2 from Simulated Flue Gas." Chemical Communications 51(85):15530-15533.  doi:10.1039/c5cc06577a
  • Motkuri RK, PK Thallapally, HV Annapureddy, LX Dang, R Krishna, SK Nune, CA Fernandez, J Liu, and BP McGrail. 2015. "Separation of polar compounds using a flexible metal-organic framework." Chemical Communications 51(40):8421-8424.  doi:10.1039/c5cc00113g
  • Nune SK, PK Thallapally, BP McGrail, HV Annapureddy, LX Dang, D Mei, NK Karri, KJ Alvine, MJ Olszta, BW Arey, and A Dohnalkova. 2015. "Adsorption Kinetics in Nanoscale Porous Coordination Polymers ." ACS Applied Materials & Interfaces 7(39):21712-21716.  doi:10.1021/acsami.5b04109


  • Annapureddy HV, RK Motkuri, PT Nguyen, TB Truong, PK Thallapally, BP McGrail, and LX Dang. 2014. "Computational studies of adsorption in metal organic frameworks and interaction of nanoparticles in condensed phases." Molecular Simulation 40(7-9):571-584.  doi:10.1080/08927022.2013.829224
  • Chen L, PS Reiss, SY Chong, D Holden, KE Jelfs, T Hasell, MA Little, A Kewley, ME Briggs, A Stephenson, KM Thomas, JA Armstrong, J Bell, J Busto, R Noel, J Liu, DM Strachan, PK Thallapally, and AI Cooper. 2014. "Separation of rare gases and chiral molecules by selective binding in porous organic cages." Nature Materials 13(10):954-960.  doi:10.1038/nmat4035
  • Fernandez CA, PF Martin, HT Schaef, ME Bowden, PK Thallapally, LX Dang, W Xu, X Chen, and BP McGrail. 2014. "An Electrically Switchable Metal-Organic Framework." Scientific Reports 12(3):Article No. 6114 .  doi:10.1038/srep06114
  • Herbert SA, A Janiak, PK Thallapally, JL Atwood, and LJ Barbour. 2014. "Diffusion of vaporous guests into a seemingly non-porous organic crystal." Chemical Communications 50(98):15509-15512.  doi:10.1039/c4cc07366e
  • Jeon JW, R Sharma, P Meduri, BW Arey, HT Schaef, J Lutkenhaus, JP Lemmon, PK Thallapally, MI Nandasiri, BP McGrail, and SK Nune. 2014. "In Situ One-Step Synthesis of Hierarchical Nitrogen-Doped Porous Carbon for High Performance Supercapacitors." ACS Applied Materials & Interfaces 6(10):7214-7222.  doi:10.1021/am500339x
  • Li B, Y Zhang, R Krishna, K Yao, Y Han, Z Wu, D Ma, Z Shi, T Pham, B Space, J Liu, PK Thallapally, J Liu, C Matthew, and S Ma. 2014. "Introduction of p-Complexation into Porous Aromatic Framework for Highly Selective Adsorption of Ethylene over Ethane." Journal of the American Chemical Society 136(24):8654-8660.  doi:10.1021/ja502119z
  • Liu J, CA Fernandez, PF Martin, PK Thallapally, and DM Strachan. 2014. "A Two-Column Method for the Separation of Kr and Xe from Process Off-Gases." Industrial and Engineering Chemistry Research 53(32):12893-12899.  doi:10.1021/ie502156h
  • Liu J, DM Strachan, and PK Thallapally. 2014. "Enhanced Noble Gas Adsorption in Ag@MOF-74Ni." Chemical Communications 50(4):466-468.  doi:10.1039/C3CC47777K
  • Motkuri RK, HV Annapureddy, M Vijayakumar, HT Schaef, PF Martin, BP McGrail, LX Dang, R Krishna, and PK Thallapally. 2014. "Fluorocarbon Adsorption in Hierarchical Porous Frameworks." Nature Communications 5:Article No. 4368.  doi:10.1038/ncomms5368
  • Motkuri RK, J Liu, CA Fernandez, SK Nune, PK Thallapally, and BP McGrail. 2014. "Metal-Organic Frameworks - Synthesis and Applications." Chapter 3 in Industrial Catalysis and Separations: Innovations for Process Intensification, ed. KV Raghavan and BM Reddy, pp. 61-103.  Apple Academic Press Inc., Waretown, NJ. 


  • Thallapally PK, J Liu, and DM Strachan. 2013. Demonstrate the removal efficiency and capacity of MOF materials for krypton recoveryPNNL-22693, Pacific Northwest National Laboratory, Richland, WA. 
  • McGrail BP, PK Thallapally, J Blanchard, SK Nune, JWJ Jenks, and LX Dang. 2013. "Metal-Organic Heat Carrier Nanofluids." Nano Energy 2(5):845-855.  doi:10.1016/j.nanoen.2013.02.007
  • Motkuri RK, PK Thallapally, and BP McGrail. 2013. "Porous Hexacyanometalates for CO2 capture applications." Proceedings of A.P. Akademi of Sciences XV(2):81-84. 
  • Soelberg NR, T Garn, M Greenhalgh, J Law, RT Jubin, DM Strachan, and PK Thallapally. 2013. "Radioactive Iodine and Krypton Control for Nuclear Fuel Reprocessing Facilities." Science and Technology of Nuclear Installations 2013:Article No. 702496.  doi:10.1155/2013/702496
  • Tan K, P Canepa, Q Gong, J Liu, DH Johnson, AA Dyevoich, PK Thallapally, T Thonhauser, J Li, and YJ Chabal. 2013. "Mechanism of Preferential Adsorption of SO2 into Two Microporous Paddle Wheel Frameworks M(bdc)(ted)(0.5)." Chemistry of Materials 25(23):4653-4662.  doi:10.1021/cm401270b
  • Tian J, J Liu, J Liu, and PK Thallapally. 2013. "Identification of solid-state forms of cucurbit[6]uril for carbon dioxide capture." CrystEngComm 15(8):1528-1531.  doi:10.1039/C3CE27017C
  • Wang XS, J Liu, JM Bonefont, DQ Yuan, PK Thallapally, and S Ma. 2013. "A porous covalent porphyrin framework with exceptional uptake capacity of saturated hydrocarbons oil spill cleanup." Chemical Communications 49(15):1533-1535.  doi:10.1039/c2cc38067f


  • Thallapally PK, and DM Strachan. 2012. Initial proof-of-principle for near room temperature Xe and Kr separation from air with MOFsPNNL-21452, Pacific Northwest National Laboratory, Richland, WA. 
  • Thallapally PK, JW Grate, and RK Motkuri. 2012. "Facile xenon capture and release at room temperature using a metal-organic framework: a comparison with activated charcoal ." Chemical Communications 48(3):347-349.  doi:10.1039/c1cc14685h
  • Burd SD, S Ma, JA Perman, B Sikora, RQ Snurr, PK Thallapally, J Tian, L Wojtas, and MJ Zaworotko. 2012. "Highly Selective Carbon Dioxide Uptake by [Cu(bpy-n)2(SiF6)] (bpy-1 = 4,4’-bipyridine; bpy-2 = 1,2-bis(4-pyridyl)ethene)." Journal of the American Chemical Society 134(8):3663 - 3666.  doi:10.1021/ja211340t
  • Dang LX, HV Annapureddy, X Sun, PK Thallapally, and BP McGrail. 2012. "Understanding nanofluid stability through molecular simulation." Chemical Physics Letters 551:115-120.  doi:10.1016/j.cplett.2012.09.025
  • Ecker L, S Ghose, S Gill, PK Thallapally, and DM Strachan. 2012. Engineering Report on the Fission Gas Getter ConceptPNNL-22138, Pacific Northwest National Laboratory, Richland, WA. 
  • Fernandez CA, PK Thallapally, and BP McGrail. 2012. "Insights into the Temperature-Dependent “Breathing” of a Flexible Fluorinated Metal-Organic Framework." Chemphyschem 13(14):3275-3281.  doi:10.1002/cphc.201200243
  • Fernandez CA, J Liu, PK Thallapally, and DM Strachan. 2012. "Switching Kr/Xe Selectivity with Temperature in a Metal-Organic Framework." Journal of the American Chemical Society 134(22):9046-9049.  doi:10.1021/ja302071t
  • Liu J, PK Thallapally, and DM Strachan. 2012. "Metal-Organic Frameworks for Removal of Xe and Kr from Nuclear Fuel Reprocessing Plants." Langmuir 28(31):11584-11589.  doi:10.1021/la301870n
  • Liu J, PK Thallapally, BP McGrail, DR Brown, and J Liu. 2012. "Progress in Adsorption-Based CO2 Capture by Metal-Organic Frameworks." Chemical Society Reviews 41(6):2308 - 2322.  doi:10.1039/C1CS15221A
  • Liu J, J Tian, PK Thallapally, and BP McGrail. 2012. "Selective CO2 Capture from Flue Gas Using Metal-Organic Frameworks?A Fixed Bed Study." Journal of Physical Chemistry C 116(17):9575 - 9581.  doi:10.1021/jp300961j
  • Tian J, PK Thallapally, and BP McGrail. 2012. "Gas Storage and Separation in Supramolecular Materials." In Supramolecular Chemistry: From Molecules to Nanomaterials, vol. 6, ed. JW Steed and PA Gale, pp. 3133-3152.  Wiley, Hoboken, NJ. 
  • Tian J, PK Thallapally, and BP McGrail. 2012. "Porous Organic Molecular Materials." CrystEngComm 14(6):1909 - 1919. 
  • Tian J, LV Saraf, B Schwenzer, SM Taylor, EK Brechin, J Liu, SJ Dalgarno, and PK Thallapally. 2012. "Selective Metal Cation Capture by Soft Anionic Metal-Organic Frameworks via Drastic Single-Crystal-to-Single-Crystal Transformations." Journal of the American Chemical Society 134(23):9581-9584.  doi:10.1021/ja303092m


  • Harvey SD, AD Eckberg, and PK Thallapally. 2011. "Evaluation of Copper-1,3,5-benzenetricarboxylate Metal-organic Framework (Cu-MOF) as a Selective Sorbent for Lewis-base Analytes." Journal of Separation Science 34(18):2418-2426.  doi:10.1002/jssc.201100317
  • Motkuri RK, PK Thallapally, SK Nune, CA Fernandez, BP McGrail, and JL Atwood. 2011. "Role of hydrocarbons in pore expansion and contraction of a flexible metal-organic framework." Chemical Communications 47(25):7077-7079.  doi:10.1039/c1cc11738f
  • Nune SK, P Gunda, BK Majeti, PK Thallapally, and FM Laird. 2011. "Advances in Lymphatic Imaging and Drug Delivery." Advanced Drug Delivery Reviews 63(10-11):867-885.  doi:10.1016/j.addr.2011.05.020
  • Shin SM, D Moon, KS Jeong, J Kim, PK Thallapally, and N Jeong. 2011. "Homochiral 3D Metal-Organic Frameworks from Chiral 1D Rods: 6 - Way Helical Packing." Chemical Communications 47(33):9402-9404.  doi:10.1039/C1CC12908B
  • Strachan DM, J Chun, J Matyas, WC Lepry, BJ Riley, JV Ryan, and PK Thallapally. 2011. Summary Report on the Volatile Radionuclide and Immobilization Research for FY2011 at PNNLPNNL-20807, Pacific Northwest National Laboratory, Richland, WA. 
  • Sun X, CD Wick, PK Thallapally, BP McGrail, and LX Dang. 2011. "Computational study of hydrocarbon adsorption in metal-organic framework Ni2(dhtp)." Journal of Physical Chemistry B 115(12):2842-2849.  doi:10.1021/jp1115299
  • Sun X, CD Wick, PK Thallapally, BP McGrail, and LX Dang. 2011. "Molecular mechanism of hydrocarbons binding to the metal-organic framework." Chemical Physics Letters 501(4-6):455-460.  doi:10.1016/j.cplett.2010.11.070
  • Tian J, PK Thallapally, J Liu, GJ Exarhos, and JL Atwood. 2011. "Gas-induced solid state transformation of an organic lattice: from nonporous to nanoporous." Chemical Communications 47(2):701-703.  doi:10.1039/C0CC04260A
  • Tian J, S Ma, PK Thallapally, D Fowler, BP McGrail, and JL Atwood. 2011. "Cucurbit[7]uril: an Amorphous Molecular Material for Highly Selective Carbon Dioxide Uptake." Chemical Communications 47(27):7626-7628.  doi:10.1039/C1CC12689J
  • Yi XY, HC Fang, ZG Gu, ZY Zhou, YP Cai, J Tian, and PK Thallapally. 2011. "Metal-Organic Frameworks with Achiral/Monochiral Nano-channels." Crystal Growth & Design 11(7):2824-2828.  doi:10.1021/cg101618n


  • Thallapally PK, CA Fernandez, RK Motkuri, SK Nune, J Liu, and CHF Peden. 2010. "Micro and Mesoporous Metal Organic Frameworks for Catalysis Applications." Dalton Transactions 39(7):1692 - 1694.  doi:10.1039/b921118g
  • Thallapally PK, RK Motkuri, CA Fernandez, BP McGrail, and GS Behrooz. 2010. "Prussian Blue Analogues for CO2 and SO2 Capture and Separation Applications." Inorganic Chemistry 49(11):4909-4915.  doi:10.1021/ic902397w
  • Daschbach JL, X Sun, PK Thallapally, BP McGrail, and LX Dang. 2010. "Grand Canonical Monte Carlo studies of CO2 and CH4 adsorption in p-tert-butylcalix[4]arene." Journal of Physical Chemistry B 114(17):5764-5768. 
  • Fang HC, JQ Zhu, LJ Zhou, HY Jia, SS Li, X Gong, SB Li, YP Cai, PK Thallapally, J Liu, and GJ Exarhos. 2010. "pH-Dependent Assembly and Conversions of Six Cadmium(II)-Based Coordination Complexes." Crystal Growth & Design 10(7):3277-3284.  doi:10.1021/cg1004598
  • Fernandez CA, PK Thallapally, J Liu, and CHF Peden. 2010. "Effect of Produced HCl during the Catalysis on Micro- and Mesoporous MOFs." Crystal Growth & Design 10(9):4118-4122.  doi:10.1021/cg100796e
  • Fernandez CA, PK Thallapally, RK Motkuri, SK Nune, JC Sumrak, J Tian, and J Liu. 2010. "Gas-Induced Expansion and Contraction of a Fluorinated Metal-Organic Framework." Crystal Growth & Design 10(3):1037-1039.  doi:10.1021/cg9014948
  • Fernandez CA, SK Nune, RK Motkuri, PK Thallapally, CM Wang, J Liu, GJ Exarhos, and BP McGrail. 2010. "Synthesis, characterization, and application of metal organic framework nanostructures." Langmuir 26(24):18591-18594.  doi:10.1021/la103590t
  • Ge YY, GB Li, HC Fang, XL Zhan, ZG Gu, JH Chen, F Sun, YP Cai, and PK Thallapally. 2010. "Auxiliary Ligand-Dependent Assembly of Several Ni/Ni-Cd Compounds with N2O2 Donor Tetradentate Symmetrical Schiff Base Ligand." Crystal Growth & Design 10(11):4987-4994.  doi:10.1021/cg101082t
  • Gu ZG, YP Cai, HC Fang, ZY Zhou, PK Thallapally, J Tian, J Liu, and GJ Exarhos. 2010. "Conversion of Nonporous Helical Cadmium Organic Famework to a Porous Form." Chemical Communications 46(29):5373-5375. 
  • Li GB, HC Fang, YP Cai, ZY Zhou, PK Thallapally, and J Tian. 2010. "Construction of Novel Zn-Ni Trinuclear Schiff Base and a Ni2+ Chemosensor ." Inorganic Chemistry 49(16):7241-7243.  doi:10.1021/ic101036m
  • Motkuri RK, PK Thallapally, BP McGrail, and BS Ghorishi. 2010. "Dehydrated Prussian Blues for CO2 Storage and Separation Applications." CrystEngComm 12 (12):4003 - 4006.  doi:10.1039/C0CE00199F
  • Motkuri RK, J Tian, PK Thallapally, CA Fernandez, SJ Dalgarno, JE Warren, BP McGrail, and JL Atwood. 2010. "Flexible metal-organic supramolecular isomers for gas separation." Chemical Communications 46(4):538-540.  doi:10.1039/b913910a
  • Nune SK, PK Thallapally, and BP McGrail. 2010. "Metal organic gels (MOGs): a new class of sorbents for CO2 separation applications." Journal of Materials Chemistry 20(36):7623-7625.  doi:10.1039/c0jm01907k
  • Nune SK, PK Thallapally, A Dohnalkova, CM Wang, J Liu, and GJ Exarhos. 2010. "Synthesis and Properties of Nano Zeolitic Imidazolate Frameworks." Chemical Communications 46(27):4878-4880. 
  • Strachan DM, J Chun, CH Henager, Jr, J Matyas, BJ Riley, JV Ryan, and PK Thallapally. 2010. Summary Report for the Development of Materials for Volatile RadionuclidesPNNL-20007, Pacific Northwest National Laboratory, Richland, WA. 
  • Tian J, RK Motkuri, PK Thallapally, and BP McGrail. 2010. "Metal-Organic Framework Isomers with Diamondoid Networks Constructed of a Semi-Rigid Tetrahedral Linker." Crystal Growth & Design 10(12):5327-5333.  doi:10.1021/cg101222w
  • Tian J, RK Motkuri, and PK Thallapally. 2010. "Generation of 2D and 3D (PtS, Adamantanoid) Nets with a Flexible Tetrahedral Building Block." Crystal Growth & Design 10(9):3843 - 3846.  doi:10.1021/cg1005677
  • Windisch CF, Jr, PK Thallapally, and BP McGrail. 2010. "Competitive Adsorption Study of CO2 and SO2 on CoII3[CoIII(CN)6]2 Using DRIFTS." Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy 77(1):287-291.  doi:10.1016/j.saa.2010.05.024


  • Cai YP, XX Zhout, ZY Zhout, SZ Zhu, PK Thallapally, and J Liu. 2009. "Single-Crystal-to-Single-Crystal Transformations in One Dimensional Ag-Eu Helical System." Inorganic Chemistry 48:6341-6343.  doi:10.1021/ic9007125
  • Daschbach JL, X Sun, TM Chang, PK Thallapally, BP McGrail, and LX Dang. 2009. "Computational studies of load-dependent guest dynamics and free energies of inclusion for CO2 in low-density p-tert-butylcalix[4]arene at loadings up to 2:1 ." Journal of Physical Chemistry A 113(14):3369-3374.  doi:10.1021/jp808490g
  • Nune SK, P Gunda, PK Thallapally, YY Lin, LM Forrest, and CJ Berkland. 2009. "Nanoparticles for Biomedical Imaging ." Expert Opinion on Drug Delivery 6(11):1175-1194. 
  • Strachan DM, SA Bryan, CH Henager, Jr, TG Levitskaia, J Matyas, PK Thallapally, RD Scheele, WJ Weber, and F Zheng. 2009. Processes for Removal and Immobilization of 14C, 129I, and 85KrPNNL-18852, Pacific Northwest National Laboratory, Richland, WA. 
  • Tian J, PK Thallapally, SJ Dalgarno, and JL Atwood. 2009. "Free Transport of Water and CO2 in Nonporous Hydrophobic Clarithromycin Form II Crystals." Journal of the American Chemical Society 131(37):p.13216-13217. 
  • Tian J, PK Thallapally, SJ Dalgarno, BP McGrail, and JL Atwood. 2009. "Amorphous Molecular Organic Solids for Gas Adsorption." Angewandte Chemie International Edition 48(30):5492 -5495. 
  • Tian J, SJ Dalgarno, PK Thallapally, and JL Atwood. 2009. "Increased control over the frustration of p-tert-butylcalix[5]arene." CrystEngComm 11:33-35.  doi:10.1039/b813628a
  • Windisch CF, Jr, PK Thallapally, and BP McGrail. 2009. "Adsorption of CO2 on CoII3[CoIII(CN)6]2 Using DRIFTS." Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy 74(3):629-634.  doi:10.1016/j.saa.2009.07.004


  • Thallapally PK, BP McGrail, SJ Dalgarno, and JL Atwood. 2008. "Gas/solvent-induced transformation and expansion of a nonporous solid to 1:1 host guest form." Crystal Growth & Design 8(7):2090-2092.  doi:10.1021/cg800347n
  • Thallapally PK, BP McGrail, SJ Dalgarno, HT Schaef, J Tian, and JL Atwood. 2008. "Gas-Induced Transformation and Expansion of a Non-Porous Organic Solid." Nature Materials 7(2):146-150.  doi:10.1038/nmat2097
  • Thallapally PK, J Tian, RK Motkuri, CA Fernandez, SJ Dalgarno, BP McGrail, JE Warren, and JL Atwood. 2008. "Flexible (Breathing) Interpenetrated Metal-Organic Frameworks for CO2 Separation Applications." Journal of the American Chemical Society 130(50):16842-16843.  doi:10.1021/ja806391k
  • Dalgarno S, PK Thallapally, J Tian, and JL Atwood. 2008. "Pseudo-polymorphism in the toluene solvate of p-tert-butylcalix[5]arene: Structural and gas sorption investigations." New Journal of Chemistry 32(12):2095-2099.  doi:10.1039/b809457h
  • Daschbach JL, PK Thallapally, BP McGrail, and LX Dang. 2008. "Dynamics and free energies of CH4 and CO2 in the molecular solid of the p-tert-butylcalix[4]arene." Chemical Physics Letters 453(4-6):123-128.  doi:10.1016/j.cplett.2008.01.031


  • Thallapally PK, BP McGrail, and JL Atwood. 2007. "Sorption of nitrogen oxides in a nonporous crystal." Chemical Communications (15):1521-1523.  doi:10.1039/b617340c
  • Thallapally PK, BP McGrail, JL Atwood, C Gaeta, and P Neri. 2007. "Carbon Dioxide Capture in a Self-Assembled Organic Nanochannels." Chemistry of Materials 19(14):3355-3357.  doi:10.1021/cm0709121
  • Thallapally PK, KA Kirby, and JL Atwood. 2007. "Comparison of porous and nonporous materials for methane storage." New Journal of Chemistry 31(5):628-630.  doi:10.1039/b610321a
  • Dalgarno SJ, PK Thallapally, LJ Barbour, and JL Atwood. 2007. "Engineering void space in organic van der Waals crystals: calixarenes lead the way." Chemical Society Reviews 36(2):236-245.  doi:10.1039/b606047c
  • Daschbach JL, PK Thallapally, JL Atwood, BP McGrail, and LX Dang. 2007. "Free energies of CO2/H-2 capture by p-tert-butylcalix[4]arene. A molecular dynamics study." Journal of Chemical Physics 127(10):Art. No. 104702. 


  • Thallapally PK, LB Dobrzanska, TR Gingrich, TB Wirsig, LJ Barbour, and JL Atwood. 2006. "Acetylene absorption and binding in nonporous crystal lattice." Angewandte Chemie International Edition 45(39):6506-6509.  doi:10.1002/anie.200601391
  • Thallapally PK, SJ Dalgarno, and JL Atwood. 2006. "Frustrated Organic Solids Display Unexpected Gas Sorption." Journal of the American Chemical Society 128(47):15060-15061.  doi:10.1021/ja065499x

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