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Staff information


Praveen Thallapally

Multiscale Synthesis
Materials Scientist
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


  • Wu T., J. Lucero, J. Crawford, M.A. Sinnwell, P.K. Thallapally, and M.A. Carreon. 2019. "SAPO-34 Membranes for Xenon Capture from Air." Journal of Membrane Science 573. PNNL-SA-136512. doi:10.1016/j.memsci.2018.12.021


  • Banerjee D., X. Chen, S.S. Lobanov, A.M. Plonka, X. Chan, J.A. Daly, and T. Kim, et al. 2018. "Iodine Adsorption in Metal Organic Frameworks in Presence of Humidity." ACS Applied Materials & Interfaces 10, no. 13:10622-10626. PNNL-SA-130831. doi:10.1021/acsami.8b02651
  • Lucero J., S. Elsaidi, R. Anderson, T. Wu, D.A. Gmez-Gualdrn, P.K. Thallapally, and M.A. Carreon. 2018. "Time Dependent Structural Evolution of Porous Organic Cage CC3." Crystal Growth & Design 18, no. 2:921-927. PNNL-SA-131927. doi:10.1021/acs.cgd.7b01405
  • Sinnwell M.A., J.L. Atwood, J.L. Atwood, and P.K. Thallapally. 2018. "Sorption of CO2 in a hydrogen-bonded diamondoid network of sulfonylcalix[4]arene." Supramolecular Chemistry 30, no. 5-6:540-544. PNNL-SA-132467. doi:10.1080/10610278.2018.1436709
  • Terban M.W., D. Banerjee, S. Ghose, B.K. Medasani, A.K. Shukla, B.A. Legg, and Y. Zhou, et al. 2018. "Early stage structural development of prototypical zeolitic imidazolate framework (ZIF) in solution." Nanoscale 10, no. 9:4291-4300. PNNL-SA-132466. doi:10.1039/C7NR07949D


  • Banerjee D., S.K. Elsaidi, and P.K. 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, no. 32:16611-16615. PNNL-SA-126512. doi:10.1039/c7ta02746j
  • Elsaidi S.K., D. Ongari, W. Xu, M.H. Mohamed, M. Haranczyk, and P.K. Thallapally. 2017. "Xenon Recovery at Room Temperature using Metal Organic Frameworks." Chemistry - A European Journal 23, no. 45:10758-10762. PNNL-SA-125906. doi:10.1002/chem.201702668
  • Elsaidi S.K., M.A. Sinnwell, D. Banerjee, A. Devaraj, R.K. Kukkadapu, T.C. Droubay, and Z. Nie, et al. 2017. "Reduced Magnetism in Core-Shell Magnetite@MOF Composites." Nano Letters 17, no. 11:6968-6973. PNNL-SA-122221. doi:10.1021/acs.nanolett.7b03451
  • McGrail B.P., P.K. Thallapally, J. Liu, and S.K. Nune. 2017. Magnetic Partitioning Nanofluid for Rare Earth Extraction from Geothermal Fluids. PNNL-26721. Richland, WA: Pacific Northwest National Laboratory.
  • Nandi S., S. Collins, D. Chakraborty, D. Banerjee, P.K. Thallapally, T.K. 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, no. 5:1734-1737. PNNL-SA-125544. doi:10.1021/jacs.6b10455
  • Subrahmanyam K.S., I. Spanopoulos, J. Chun, B.J. Riley, P.K. Thallapally, P.N. Trikalitis, and M.G. Kanatzidis. 2017. "Chalcogenide Aerogels as Sorbents for Noble Gases (Xe, Kr)." ACS Applied Materials & Interfaces 9, no. 39:33389-33394. PNNL-SA-121769. doi:10.1021/acsami.6b15896
  • Wu T., X. Feng, S.K. Elsaidi, P.K. Thallapally, and M.A. Carreon. 2017. "Zeolitic Imidazolate Framework-8 (ZIF-8) Membranes for Kr/Xe Separation." Industrial Engineering Chemistry Research 56, no. 6:1682-1686. PNNL-SA-125555. doi:10.1021/acs.iecr.6b04868
  • Zong Z., S.K. Elsaidi, P.K. Thallapally, and M.A. Carreon. 2017. "Highly Permeable AIPO-18 Membranes for N-2/CH4 Separation." Industrial Engineering Chemistry Research 56, no. 14:4113-4118. PNNL-SA-126553. doi:10.1021/acs.iecr.7b00853


  • Banerjee D., C.M. Simon, A.M. Plonka, R.K. Motkuri, J. Liu, X. Chen, and B. Smit, et al. 2016. "Metal-Organic Framework with Optimal Adsorption, Separation, and Selectivity towards Xenon." Nature Communications 7. PNNL-SA-116761. doi:10.1038/ncomms11831
  • Banerjee D., D. Kim, M.J. Schweiger, A.A. Kruger, and P.K. Thallapally. 2016. "Removal of TcO4- ions from Solution: Materials and Future Outlook." Chemical Society Reviews 45, no. 10:2724-2739. PNNL-SA-117349. doi:10.1039/c5cs00330j
  • Banerjee D., S.K. Elsaidi, B.A. Aguila, B. Li, D. Kim, M.J. Schweiger, and A.A. Kruger, et al. 2016. "Removal of Pertechnetate-Related Oxyanion from Solution Using Functionalized Hierarchical Porous Frameworks." Chemistry - A European Journal 22, no. 49:17581-17584. PNNL-SA-122537. doi:10.1002/chem.201603908
  • Banerjee D., W. Xu, Z. Nie, L. Johnson, C. Coghlan, M.L. Sushko, and D. Kim, et al. 2016. "Zirconium-Based Metal-Organic Frameworkds for Removal of Perrhenate from Water." Inorganic Chemistry 55, no. 17:8241-8243. PNNL-SA-116173. doi:10.1021/acs.inorgchem.6b01004
  • Elsaidi S.K., M.H. Mohamed, J.S. Loring, B.P. McGrail, and P.K. Thallapally. 2016. "Coordination Covalent Frameworks: A New Route for Synthesis and Expansion of Functional Porous Materials." ACS Applied Materials & Interfaces 8, no. 42:28424-28427. PNNL-SA-122052. doi:10.1021/acsami.6b11116
  • Feng X., Z. Zong, S.K. Elsaidi, J.B. Jasinski, P.K. Thallapally, and M.A. Carreon. 2016. "Kr/Xe Separation over Chabazite Zeolite Membranes." Journal of the American Chemical Society 138, no. 31:9791-9794. PNNL-SA-121268. doi:10.1021/jacs.6b06515
  • Mohamed M.H., S.K. Elsaidi, T. Pham, K.A. Forrest, H.T. Schaef, A. Hogan, and L. Wojtas, et al. 2016. "Hybrid Ultramicroporous Materials for Selective Xe Adsorption and Separation." Angewandte Chemie International Edition 55, no. 29:8285-8289. PNNL-SA-117901. doi:10.1002/anie.201602287
  • Patil R.S., D. Banerjee, C.M. Simon, J.L. Atwood, and P.K. Thallapally. 2016. "Noria, a highly Xe-selective Nanoporous Organic Solid." Chemistry - A European Journal 22, no. 36:12618-12623. PNNL-SA-117721. doi:10.1002/chem.201602131
  • Patil R.S., D. Banerjee, J.L. Atwood, and P.K. Thallapally. 2016. "Gas Sorption and Storage Properties of Calixarenes." In Calixarenes and Beyond, edited by Placido Neri, Jonathan L. Sessler, Mei-Xiang Wang. 1037-1056. Cham:Springer International Publishing. PNNL-SA-116096. doi:10.1007/978-3-319-31867-7_39
  • Zhang W., D. Banerjee, J. Liu, H.T. Schaef, J.V. Crum, C.A. Fernandez, and R.K. Kukkadapu, et al. 2016. "Redox-Active Metal-Organic Composites for Highly Selective Oxygen Separation Applications." Advanced Materials 28, no. 18:3572-3577. PNNL-SA-112948. doi:10.1002/adma.201600259


  • Banerjee D., A. Cairns, J. Liu, R.K. Motkuri, S.K. Nune, C.A. Fernandez, and R. Krishna, et al. 2015. "Potential of Metal-Organic Frameworks for Separation of Xenon and Krypton." Accounts of Chemical Research 48, no. 2:211-219. PNNL-SA-104995. doi:10.1021/ar5003126
  • Banerjee D., J. Liu, and P.K. Thallapally. 2015. "Separation of C2 Hydrocarbons by Porous Materials: Metal Organic Frameworks as Platform." Comments on Inorganic Chemistry 35, no. 1:18-38. PNNL-SA-105950. doi:10.1080/02603594.2014.976704
  • Elsaidi S.K., M.H. Mohamed, H.T. Schaef, A. Kumar, M. Lusi, T. Pham, and K.A. Forrest, et al. 2015. "Hydrophobic Pillared Square Grids for Selective Removal of CO2 from Simulated Flue Gas." Chemical Communications 51, no. 85:15530-15533. PNNL-SA-109325. doi:10.1039/c5cc06577a
  • Nune S.K., P.K. Thallapally, B.P. McGrail, H.V. Annapureddy, L.X. Dang, D. Mei, and N.K. Karri, et al. 2015. "Adsorption Kinetics in Nanoscale Porous Coordination Polymers." ACS Applied Materials & Interfaces 7, no. 39:21712-21716. PNNL-SA-104104. doi:10.1021/acsami.5b04109


  • Annapureddy H.V., R.K. Motkuri, P.T. Nguyen, T.B. Truong, P.K. Thallapally, B.P. McGrail, and L.X. Dang. 2014. "Computational studies of adsorption in metal organic frameworks and interaction of nanoparticles in condensed phases." Molecular Simulation 40, no. 7-9:571-584. PNNL-SA-96111. doi:10.1080/08927022.2013.829224
  • Chen L., P.S. Reiss, S.Y. Chong, D. Holden, K.E. Jelfs, T. Hasell, and M.A. Little, et al. 2014. "Separation of rare gases and chiral molecules by selective binding in porous organic cages." Nature Materials 13, no. 10:954-960. PNNL-SA-99518. doi:10.1038/nmat4035
  • Fernandez C.A., P.F. Martin, H.T. Schaef, M.E. Bowden, P.K. Thallapally, L.X. Dang, and W. Xu, et al. 2014. "An Electrically Switchable Metal-Organic Framework." Scientific Reports 12, no. 3:Article No. 6114. PNNL-SA-105621. doi:10.1038/srep06114
  • Herbert S.A., A. Janiak, P.K. Thallapally, J.L. Atwood, J.L. Atwood, and L.J. Barbour. 2014. "Diffusion of vaporous guests into a seemingly non-porous organic crystal." Chemical Communications 50, no. 98:15509-15512. PNNL-SA-101277. doi:10.1039/c4cc07366e
  • Jeon J., R. Sharma, P. Meduri, B.W. Arey, H.T. Schaef, J. Lutkenhaus, and J.P. Lemmon, et al. 2014. "In Situ One-Step Synthesis of Hierarchical Nitrogen-Doped Porous Carbon for High Performance Supercapacitors." ACS Applied Materials & Interfaces 6, no. 10:7214-7222. PNNL-SA-99833. doi:10.1021/am500339x
  • Li B., Y. Zhang, R. Krishna, K. Yao, Y. Han, Z. Wu, and D. Ma, et al. 2014. "Introduction of p-Complexation into Porous Aromatic Framework for Highly Selective Adsorption of Ethylene over Ethane." Journal of the American Chemical Society 136, no. 24:8654-8660. PNNL-SA-100671. doi:10.1021/ja502119z
  • Liu J., C.A. Fernandez, P.F. Martin, P.K. Thallapally, and D.M. Strachan. 2014. "A Two-Column Method for the Separation of Kr and Xe from Process Off-Gases." Industrial and Engineering Chemistry Research 53, no. 32:12893-12899. PNNL-SA-100864. doi:10.1021/ie502156h
  • Liu J., D.M. Strachan, and P.K. Thallapally. 2014. "Enhanced Noble Gas Adsorption in Ag@MOF-74Ni." Chemical Communications 50, no. 4:466-468. PNNL-SA-99495. doi:10.1039/C3CC47777K
  • Motkuri R.K., H.V. Annapureddy, M. Vijayakumar, H.T. Schaef, P.F. Martin, B.P. McGrail, and L.X. Dang, et al. 2014. "Fluorocarbon Adsorption in Hierarchical Porous Frameworks." Nature Communications 5. PNNL-SA-99164. doi:10.1038/ncomms5368
  • Motkuri R.K., J. Liu, C.A. Fernandez, S.K. Nune, P.K. Thallapally, and B.P. McGrail. 2014. "Metal-Organic Frameworks - Synthesis and Applications." In Industrial Catalysis and Separations: Innovations for Process Intensification, edited by KV Raghavan and BM Reddy. 61-103. Waretown, New Jersey:Apple Academic Press Inc. PNNL-SA-97713.


  • McGrail B.P., P.K. Thallapally, J. Blanchard, S.K. Nune, J.W. Jenks, and L.X. Dang. 2013. "Metal-Organic Heat Carrier Nanofluids." Nano Energy 2, no. 5:845-855. PNNL-SA-92428. doi:10.1016/j.nanoen.2013.02.007
  • Motkuri R.K., P.K. Thallapally, and B.P. McGrail. 2013. "Porous Hexacyanometalates for CO2 capture applications." Proceedings of A.P. Akademi of Sciences XV, no. 2:81-84. PNNL-SA-93375.
  • Soelberg N.R., T. Garn, M. Greenhalgh, J. Law, R.T. Jubin, D.M. Strachan, and P.K. Thallapally. 2013. "Radioactive Iodine and Krypton Control for Nuclear Fuel Reprocessing Facilities." Science and Technology of Nuclear Installations 2013. PNNL-SA-94318. doi:10.1155/2013/702496
  • Tan K., P. Canepa, Q. Gong, J. Liu, D.H. Johnson, A.A. Dyevoich, and P.K. Thallapally, et al. 2013. "Mechanism of Preferential Adsorption of SO2 into Two Microporous Paddle Wheel Frameworks M(bdc)(ted)(0.5)." Chemistry of Materials 25, no. 23:4653-4662. PNNL-SA-93017. doi:10.1021/cm401270b
  • Thallapally P.K., J. Liu, and D.M. Strachan. 2013. Demonstrate the removal efficiency and capacity of MOF materials for krypton recovery. PNNL-22693. Richland, WA: Pacific Northwest National Laboratory.
  • Tian J., J. Liu, J. Liu, and P.K. Thallapally. 2013. "Identification of solid-state forms of cucurbit[6]uril for carbon dioxide capture." CrystEngComm 15, no. 8:1528-1531. PNNL-SA-92716. doi:10.1039/C3CE27017C
  • Wang X., J. Liu, J.M. Bonefont, D. Yuan, P.K. Thallapally, and S. Ma. 2013. "A porous covalent porphyrin framework with exceptional uptake capacity of saturated hydrocarbons oil spill cleanup." Chemical Communications 49, no. 15:1533-1535. PNNL-SA-90030. doi:10.1039/c2cc38067f


  • Burd S.D., S. Ma, J.A. Perman, B. Sikora, R.Q. Snurr, P.K. Thallapally, and J. Tian, et al. 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, no. 8:3663 - 3666. PNNL-SA-84072. doi:10.1021/ja211340t
  • Dang L.X., H.V. Annapureddy, X. Sun, P.K. Thallapally, and B.P. McGrail. 2012. "Understanding nanofluid stability through molecular simulation." Chemical Physics Letters 551. PNNL-SA-84205. doi:10.1016/j.cplett.2012.09.025
  • Ecker L., S. Ghose, S. Gill, P.K. Thallapally, and D.M. Strachan. 2012. Engineering Report on the Fission Gas Getter Concept. PNNL-22138. Richland, WA: Pacific Northwest National Laboratory.
  • Fernandez C.A., J. Liu, P.K. Thallapally, and D.M. Strachan. 2012. "Switching Kr/Xe Selectivity with Temperature in a Metal-Organic Framework." Journal of the American Chemical Society 134, no. 22:9046-9049. PNNL-SA-85894. doi:10.1021/ja302071t
  • Fernandez C.A., P.K. Thallapally, and B.P. McGrail. 2012. "Insights into the Temperature-Dependent “Breathing” of a Flexible Fluorinated Metal-Organic Framework." ChemPhysChem 13, no. 14:3275-3281. PNNL-SA-88461. doi:10.1002/cphc.201200243
  • Liu J., J. Tian, P.K. Thallapally, and B.P. McGrail. 2012. "Selective CO2 Capture from Flue Gas Using Metal-Organic Frameworks?A Fixed Bed Study." Journal of Physical Chemistry C 116, no. 17:9575 - 9581. PNNL-SA-83603. doi:10.1021/jp300961j
  • Liu J., P.K. Thallapally, and D.M. Strachan. 2012. "Metal-Organic Frameworks for Removal of Xe and Kr from Nuclear Fuel Reprocessing Plants." Langmuir 28, no. 31:11584-11589. PNNL-SA-86305. doi:10.1021/la301870n
  • Liu J., P.K. Thallapally, B.P. McGrail, D.R. Brown, and J. Liu. 2012. "Progress in Adsorption-Based CO2 Capture by Metal-Organic Frameworks." Chemical Society Reviews 41, no. 6:2308 - 2322. PNNL-SA-81981. doi:10.1039/C1CS15221A
  • Thallapally P.K., and D.M. Strachan. 2012. Initial proof-of-principle for near room temperature Xe and Kr separation from air with MOFs. PNNL-21452. Richland, WA: Pacific Northwest National Laboratory.
  • Thallapally P.K., J.W. Grate, and R.K. Motkuri. 2012. "Facile xenon capture and release at room temperature using a metal-organic framework: a comparison with activated charcoal." Chemical Communications 48, no. 3:347-349. PNNL-SA-81537. doi:10.1039/c1cc14685h
  • Tian J., L.V. Saraf, B. Schwenzer, S.M. Taylor, E.K. Brechin, J. Liu, and S.J. Dalgarno, et al. 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, no. 23:9581-9584. PNNL-SA-86383. doi:10.1021/ja303092m
  • Tian J., P.K. Thallapally, and B.P. McGrail. 2012. "Gas Storage and Separation in Supramolecular Materials." In Supramolecular Chemistry: From Molecules to Nanomaterials, edited by JW Steed and PA Gale. 3133-3152. Hoboken, New Jersey:Wiley. PNNL-SA-74064.
  • Tian J., P.K. Thallapally, and B.P. McGrail. 2012. "Porous Organic Molecular Materials." CrystEngComm 14, no. 6:1909 - 1919. PNNL-SA-83797.


  • Harvey S.D., A.D. Eckberg, and P.K. 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, no. 18:2418-2426. PNNL-SA-74940. doi:10.1002/jssc.201100317
  • Motkuri R.K., P.K. Thallapally, S.K. Nune, C.A. Fernandez, B.P. McGrail, J.L. Atwood, and J.L. Atwood. 2011. "Role of hydrocarbons in pore expansion and contraction of a flexible metal-organic framework." Chemical Communications 47, no. 25:7077-7079. PNNL-SA-77576. doi:10.1039/c1cc11738f
  • Nune S.K., P. Gunda, B.K. Majeti, P.K. Thallapally, and F.M. Laird. 2011. "Advances in Lymphatic Imaging and Drug Delivery." Advanced Drug Delivery Reviews 63, no. 10-11:867-885. PNNL-SA-69744. doi:10.1016/j.addr.2011.05.020
  • Shin S.M., D. Moon, K.S. Jeong, J. Kim, P.K. Thallapally, and N. Jeong. 2011. "Homochiral 3D Metal-Organic Frameworks from Chiral 1D Rods: 6 - Way Helical Packing." Chemical Communications 47, no. 33:9402-9404. PNNL-SA-80092. doi:10.1039/C1CC12908B
  • Strachan D.M., J. Chun, J. Matyas, W.C. Lepry, B.J. Riley, J.V. Ryan, and P.K. Thallapally. 2011. Summary Report on the Volatile Radionuclide and Immobilization Research for FY2011 at PNNL. PNNL-20807. Richland, WA: Pacific Northwest National Laboratory.
  • Sun X., C.D. Wick, P.K. Thallapally, B.P. McGrail, and L.X. Dang. 2011. "Computational study of hydrocarbon adsorption in metal-organic framework Ni2(dhtp)." Journal of Physical Chemistry B 115, no. 12:2842-2849. PNNL-SA-74246. doi:10.1021/jp1115299
  • Sun X., C.D. Wick, P.K. Thallapally, B.P. McGrail, and L.X. Dang. 2011. "Molecular mechanism of hydrocarbons binding to the metal-organic framework." Chemical Physics Letters 501, no. 4-6:455-460. PNNL-SA-75841. doi:10.1016/j.cplett.2010.11.070
  • Tian J., P.K. Thallapally, J. Liu, G.J. Exarhos, and J.L. Atwood. 2011. "Gas-induced solid state transformation of an organic lattice: from nonporous to nanoporous." Chemical Communications 47, no. 2:701-703. PNNL-SA-72646. doi:10.1039/C0CC04260A
  • Tian J., S. Ma, P.K. Thallapally, D. Fowler, B.P. McGrail, J.L. Atwood, and J.L. Atwood. 2011. "Cucurbit[7]uril: an Amorphous Molecular Material for Highly Selective Carbon Dioxide Uptake." Chemical Communications 47, no. 27:7626-7628. PNNL-SA-79807. doi:10.1039/C1CC12689J
  • Yi X.Y., H. Fang, Z. Gu, Z. Zhou, Y. Cai, J. Tian, and P.K. Thallapally. 2011. "Metal-Organic Frameworks with Achiral/Monochiral Nano-channels." Crystal Growth & Design 11, no. 7:2824-2828. PNNL-SA-75152. doi:10.1021/cg101618n


  • Daschbach J.L., X. Sun, P.K. Thallapally, B.P. McGrail, and L.X. Dang. 2010. "Grand Canonical Monte Carlo studies of CO2 and CH4 adsorption in p-tert-butylcalix[4]arene." Journal of Physical Chemistry B 114, no. 17:5764-5768. PNNL-SA-67808.
  • Fang H., J. Zhu, L. Zhou, H. Jia, S. Li, X. Gong, and S. Li, et al. 2010. "pH-Dependent Assembly and Conversions of Six Cadmium(II)-Based Coordination Complexes." Crystal Growth & Design 10, no. 7:3277-3284. PNNL-SA-72527. doi:10.1021/cg1004598
  • Fernandez C.A., P.K. Thallapally, J. Liu, and C.H. Peden. 2010. "Effect of Produced HCl during the Catalysis on Micro- and Mesoporous MOFs." Crystal Growth & Design 10, no. 9:4118-4122. PNNL-SA-70760. doi:10.1021/cg100796e
  • Fernandez C.A., P.K. Thallapally, R.K. Motkuri, S.K. Nune, J.C. Sumrak, J. Tian, and J. Liu. 2010. "Gas-Induced Expansion and Contraction of a Fluorinated Metal-Organic Framework." Crystal Growth & Design 10, no. 3:1037-1039. PNNL-SA-68508. doi:10.1021/cg9014948
  • Fernandez C.A., S.K. Nune, R.K. Motkuri, P.K. Thallapally, C.M. Wang, J. Liu, and G.J. Exarhos, et al. 2010. "Synthesis, characterization, and application of metal organic framework nanostructures." Langmuir 26, no. 24:18591-18594. PNNL-SA-75145. doi:10.1021/la103590t
  • Ge Y.Y., G. Li, H. Fang, X.L. Zhan, Z. Gu, J.H. Chen, and F. Sun, et al. 2010. "Auxiliary Ligand-Dependent Assembly of Several Ni/Ni-Cd Compounds with N2O2 Donor Tetradentate Symmetrical Schiff Base Ligand." Crystal Growth & Design 10, no. 11:4987-4994. PNNL-SA-75151. doi:10.1021/cg101082t
  • Gu Z., Y. Cai, H. Fang, Z. Zhou, P.K. Thallapally, J. Tian, and J. Liu, et al. 2010. "Conversion of Nonporous Helical Cadmium Organic Famework to a Porous Form." Chemical Communications 46, no. 29:5373-5375. PNNL-SA-72526.
  • Li G., H. Fang, Y. Cai, Z. Zhou, P.K. Thallapally, and J. Tian. 2010. "Construction of Novel Zn-Ni Trinuclear Schiff Base and a Ni2+ Chemosensor." Inorganic Chemistry 49, no. 16:7241-7243. PNNL-SA-73793. doi:10.1021/ic101036m
  • Motkuri R.K., J. Tian, P.K. Thallapally, C.A. Fernandez, S.J. Dalgarno, J.E. Warren, and J.E. Warren, et al. 2010. "Flexible metal-organic supramolecular isomers for gas separation." Chemical Communications 46, no. 4:538-540. PNNL-SA-65215. doi:10.1039/b913910a
  • Motkuri R.K., P.K. Thallapally, B.P. McGrail, and B.S. Ghorishi. 2010. "Dehydrated Prussian Blues for CO2 Storage and Separation Applications." CrystEngComm 12, no. 12:4003 - 4006. PNNL-SA-73618. doi:10.1039/C0CE00199F
  • Nune S.K., P.K. Thallapally, A. Dohnalkova, C.M. Wang, J. Liu, and G.J. Exarhos. 2010. "Synthesis and Properties of Nano Zeolitic Imidazolate Frameworks." Chemical Communications 46, no. 27:4878-4880. PNNL-SA-70605.
  • Nune S.K., P.K. Thallapally, and B.P. McGrail. 2010. "Metal organic gels (MOGs): a new class of sorbents for CO2 separation applications." Journal of Materials Chemistry 20, no. 36:7623-7625. PNNL-SA-73546. doi:10.1039/c0jm01907k
  • Strachan D.M., J. Chun, C.H. Henager, J. Matyas, B.J. Riley, J.V. Ryan, and P.K. Thallapally. 2010. Summary Report for the Development of Materials for Volatile Radionuclides. PNNL-20007. Richland, WA: Pacific Northwest National Laboratory.
  • Thallapally P.K., C.A. Fernandez, R.K. Motkuri, S.K. Nune, J. Liu, and C.H. Peden. 2010. "Micro and Mesoporous Metal Organic Frameworks for Catalysis Applications." Dalton Transactions 39, no. 7:1692 - 1694. PNNL-SA-68558. doi:10.1039/b921118g
  • Thallapally P.K., R.K. Motkuri, C.A. Fernandez, B.P. McGrail, and G.s. Behrooz. 2010. "Prussian Blue Analogues for CO2 and SO2 Capture and Separation Applications." Inorganic Chemistry 49, no. 11:4909-4915. PNWD-SA-8578. doi:10.1021/ic902397w
  • Tian J., R.K. Motkuri, and P.K. Thallapally. 2010. "Generation of 2D and 3D (PtS, Adamantanoid) Nets with a Flexible Tetrahedral Building Block." Crystal Growth & Design 10, no. 9:3843 - 3846. PNNL-SA-72598. doi:10.1021/cg1005677
  • Tian J., R.K. Motkuri, P.K. Thallapally, and B.P. McGrail. 2010. "Metal-Organic Framework Isomers with Diamondoid Networks Constructed of a Semi-Rigid Tetrahedral Linker." Crystal Growth & Design 10, no. 12:5327-5333. PNNL-SA-75153. doi:10.1021/cg101222w
  • Windisch C.F., P.K. Thallapally, and B.P. 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, no. 1:287-291. PNNL-SA-71661. doi:10.1016/j.saa.2010.05.024


  • Cai Y., X. Zhout, Z. Zhout, S. Zhu, P.K. Thallapally, and J. Liu. 2009. "Single-Crystal-to-Single-Crystal Transformations in One Dimensional Ag-Eu Helical System." Inorganic Chemistry 48. PNNL-SA-64387. doi:10.1021/ic9007125
  • Daschbach J.L., X. Sun, T. Chang, P.K. Thallapally, B.P. McGrail, and L.X. 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, no. 14:3369-3374. PNNL-SA-62556. doi:10.1021/jp808490g
  • Nune S.K., P. Gunda, P.K. Thallapally, Y. Lin, L.M. Forrest, and C.J. Berkland. 2009. "Nanoparticles for Biomedical Imaging." Expert Opinion on Drug Delivery 6, no. 11:1175-1194. PNNL-SA-67470.
  • Strachan D.M., S.A. Bryan, C.H. Henager, T.G. Levitskaia, J. Matyas, P.K. Thallapally, and R.D. Scheele, et al. 2009. Processes for Removal and Immobilization of 14C, 129I, and 85Kr. PNNL-18852. Richland, WA: Pacific Northwest National Laboratory.
  • Tian J., P.K. Thallapally, S.J. Dalgarno, and J.L. Atwood. 2009. "Free Transport of Water and CO2 in Nonporous Hydrophobic Clarithromycin Form II Crystals." Journal of the American Chemical Society 131, no. 37:p.13216-13217. PNNL-SA-69178.
  • Tian J., P.K. Thallapally, S.J. Dalgarno, B.P. McGrail, J.L. Atwood, and J.L. Atwood. 2009. "Amorphous Molecular Organic Solids for Gas Adsorption." Angewandte Chemie International Edition 48, no. 30:5492 -5495. PNNL-SA-64268.
  • Tian J., S.J. Dalgarno, P.K. Thallapally, and J.L. Atwood. 2009. "Increased control over the frustration of p-tert-butylcalix[5]arene." CrystEngComm 11. PNNL-SA-60180. doi:10.1039/b813628a
  • Windisch C.F., P.K. Thallapally, and B.P. McGrail. 2009. "Adsorption of CO2 on CoII3[CoIII(CN)6]2 Using DRIFTS." Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy 74, no. 3:629-634. PNNL-SA-65974. doi:10.1016/j.saa.2009.07.004


  • Dalgarno S., P.K. Thallapally, J. Tian, J.L. Atwood, and J.L. Atwood. 2008. "Pseudo-polymorphism in the toluene solvate of p-tert-butylcalix[5]arene: Structural and gas sorption investigations." New Journal of Chemistry 32, no. 12:2095-2099. PNNL-SA-57987. doi:10.1039/b809457h
  • Daschbach J.L., P.K. Thallapally, B.P. McGrail, and L.X. 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, no. 4-6:123-128. PNNL-SA-58339. doi:10.1016/j.cplett.2008.01.031
  • Thallapally P.K., B.P. McGrail, S.J. Dalgarno, H.T. Schaef, J. Tian, and J.L. Atwood. 2008. "Gas-Induced Transformation and Expansion of a Non-Porous Organic Solid." Nature Materials 7, no. 2:146-150. PNNL-SA-53644. doi:10.1038/nmat2097
  • Thallapally P.K., B.P. McGrail, S.J. Dalgarno, J.L. Atwood, and J.L. Atwood. 2008. "Gas/solvent-induced transformation and expansion of a nonporous solid to 1:1 host guest form." Crystal Growth & Design 8, no. 7:2090-2092. PNNL-SA-59418. doi:10.1021/cg800347n
  • Thallapally P.K., J. Tian, R.K. Motkuri, C.A. Fernandez, S.J. Dalgarno, B.P. McGrail, and J.E. Warren, et al. 2008. "Flexible (Breathing) Interpenetrated Metal-Organic Frameworks for CO2 Separation Applications." Journal of the American Chemical Society 130, no. 50:16842-16843. PNNL-SA-61822. doi:10.1021/ja806391k


  • Dalgarno S.J., P.K. Thallapally, L.J. Barbour, and J.L. Atwood. 2007. "Engineering void space in organic van der Waals crystals: calixarenes lead the way." Chemical Society Reviews 36, no. 2:236-245. PNNL-SA-52944. doi:10.1039/b606047c
  • Daschbach J.L., P.K. Thallapally, J.L. Atwood, J.L. Atwood, B.P. McGrail, and L.X. Dang. 2007. "Free energies of CO2/H-2 capture by p-tert-butylcalix[4]arene. A molecular dynamics study." Journal of Chemical Physics 127, no. 10:Art. No. 104702. PNNL-SA-55095.
  • Thallapally P.K., B.P. McGrail, and J.L. Atwood. 2007. "Sorption of nitrogen oxides in a nonporous crystal." Chemical Communications. PNNL-SA-52919. doi:10.1039/b617340c
  • Thallapally P.K., B.P. McGrail, J.L. Atwood, C. Gaeta, and P. Neri. 2007. "Carbon Dioxide Capture in a Self-Assembled Organic Nanochannels." Chemistry of Materials 19, no. 14:3355-3357. PNNL-SA-53978. doi:10.1021/cm0709121
  • Thallapally P.K., K.A. Kirby, and J.L. Atwood. 2007. "Comparison of porous and nonporous materials for methane storage." New Journal of Chemistry 31, no. 5:628-630. PNNL-SA-52566. doi:10.1039/b610321a


  • Thallapally P.K., L.B. Dobrzanska, T.R. Gingrich, T.B. Wirsig, L.J. Barbour, and J.L. Atwood. 2006. "Acetylene absorption and binding in nonporous crystal lattice." Angewandte Chemie International Edition 45, no. 39:6506-6509. PNNL-SA-52614. doi:10.1002/anie.200601391
  • Thallapally P.K., S.J. Dalgarno, and J.L. Atwood. 2006. "Frustrated Organic Solids Display Unexpected Gas Sorption." Journal of the American Chemical Society 128, no. 47:15060-15061. PNNL-SA-52890. doi:10.1021/ja065499x

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