Materials Scientist
Materials Scientist


Dr. Praveen K. Thallapally focuses his research on the development of multifunctional hierarchical materials (including stimuli responsive), membranes and thin films focused on porous metal organic frameworks (MOFs), covalent organic frameworks (COFs), and supramolecular hosts (Cucurbituril’s, Pillar[n]arene’s, calix[n]arene, etc) for adsorption, separation, extraction, sensing, and catalysis. His research on gas adsorption, separation, adsorption cooling and sensing using materials has been published in more than 50 DOE technical reports, five US patents, and 150 international peer-reviewed journals, as well as more than six reviews and five book chapters with over 10,000 citations and an H-index of 58 (Google Scholar). 

His work on porous materials disseminated through other professional publications, for example, research on MOFs membrane for CO2 separation was featured in 2013 Presidents Budget report; featured at DOE website 10 questions to materials scientist, and several other publications were featured on external websites including Department of Energy - Office of Science (carbon capture, sensingmetal  capture, nucleation and growth,), Environmental Management (TcO4- removal), Office of Nuclear Energy (noble gas adsorption and separation), Office of Geothermal Energy (extraction of rare earth elements from brine solution), Building Technology Office (Fluorocarbon sensing), Chemical Engineering News (adsorption cooling and noble gas separation), MRS Bulletin (Oxygen separation), and other media coverages (Tri-City Herald, Yakima Herald etc.). He contributed to a report on the first economic assessment of solid sorbents for CO2 capture from integrated gasification combined cycle (IGCC) power plants and first economic analysis report comparing room temperature separation of noble gases (Xenon and Krypton) from air to cryogenic separation process. He personally presented his work to U.S. Department of Energy’s Assistant Secretory for Fossil Energy, Nuclear Energy Subcommittee, program managers at various DOE and DOD offices (Office of Science, Nuclear Energy, Environmental Management, Building Technology, Geothermal Energy, ARPA-E, DTRA etc), Senior BMI management and CEO-level staff from numerous corporate clients. 

In addition to scientific achievements, his work has extraordinary impact on business development at PNNL with more than $10 million in funding since joined at PNNL. Two laboratory-level LDRD projects (carbon capture and desiccant dehumidification), Department of Defense (Thermal regulation materials), CO2 capture (Office of Fossil Energy), Adsorption cooling (ARPA-E), rare earth element extraction (Office of Geothermal Energy) and so on. For his scientific contribution and business development, PNNL recognized him with Ronald Brodzinski Early Career Achievement Award in 2008 and nominated for other awards. He is currently leading several research projects including Noble gas separation (DOE-Nuclear Energy), refrigerant leak detection (DOE-Building Technology Office), tuning the molecular interactions with Xenon (DTRA) and supporting several projects including extraction of Lithium, Cesium from brine solution (Geothermal Energy), nucleation and growth of porous materials from solution (BES). 

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.

Disciplines and Skills

  • Crystal Engineering
  • Gas Separation
  • Inorganic Materials
  • Membrane
  • Nucleation
  • Porous Materials
  • Rare Earths
  • Sensor Materials
  • Separations Chemistry
  • Smart Materials
  • Supramolecular Chemistry
  • Thin Film Coating


  • PhD, Crystal Engineering, University of Hyderabad, India, 2002
  • MS, Physical Organic Chemistry, University of Hyderabad, India, 1997
  • BS, 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




  • Robinson A.J., H.M. Johnson, S. Chong, B.J. Riley, M.K. Murphy, P.K. Okabe, and P.K. Thallapally. 2024. "Noble Gas Management with Radiation-Tolerant MOF for Molten Salt Reactors." Cell Reports Physical Science 5, no. 2:Art. No. 101829. PNNL-SA-191719. doi:10.1016/j.xcrp.2024.101829
  • Thallapally P.K. 2024. Surface Acoustic Wave Sensor for Refrigerant Leak Detection - CRADA 402 (Abstract). PNNL-35270. Richland, WA: Pacific Northwest National Laboratory.



  • Andrews H., P.K. Thallapally, and A.J. Robinson. 2022. "Monitoring Xenon Capture in a Metal Organic Framework using a Laser-Induced Breakdown Spectroscopy." Micromachines 14, no. 1:Art. No. 82. PNNL-SA-180335. doi:10.3390/mi14010082
  • Gantzler N., M. Kim, A.J. Robinson, M.W. Terban, S.K. Ghose, R.E. Dinnebier, and A.H. York, et al. 2022. "Computation-informed optimization of Ni(PyC)2 functionalization for noble gas separations." Cell Reports Physical Science 3, no. 9:Art. No. 101025. PNNL-SA-169818. doi:10.1016/j.xcrp.2022.101025
  • Jia H., S. Lu, S. Shin, M.L. Sushko, X. Tao, M. Hummel, and P.K. Thallapally, et al. 2022. "In situ anodic electrodeposition of two-dimensional conductive metal-organic framework@nickel foam for high-performance flexible supercapacitor." Journal of Power Sources 526. PNNL-SA-171324. doi:10.1016/j.jpowsour.2022.231163


  • Huynh M.T., N. Gantzlen, S. Hough, D. Roundy, P.K. Thallapally, and C. Simon. 2021. "Adsorbed xenon propellant storage: are nanoporous materials worth the weight?." Materials Advances 2, no. 12:4081-4092. PNNL-SA-159628. doi:10.1039/D1MA00167A
  • Kim K., K. Kim, J.T. Culp, P. Ohodnicki, P.K. Thallapally, and J. Tao. 2021. "Synthesis of High-Quality Mg-MOF-74 Thin Films via Vapor-Assisted Crystallization." ACS Applied Materials & Interfaces 13, no. 29:35223-35231. PNNL-SA-159567. doi:10.1021/acsami.1c12000
  • Saha D., M. Kim, A.J. Robinson, R. Babarao, and P.K. Thallapally. 2021. "Elucidating the Mechanisms of Paraffin-Olefin Separations using Nanoporous Adsorbents: An Overview." iScience 24, no. 9:Article number 103042. PNNL-SA-166062. doi:10.1016/j.isci.2021.103042
  • Surbella R.G., D.D. Reilly, M.A. Sinnwell, B.K. Mcnamara, L.E. Sweet, J.M. Schwantes, and P.K. Thallapally. 2021. "Multifunctional two-dimensional metal-organic frameworks for radionuclide sequestration and detection." ACS Applied Materials & Interfaces 13, no. 38:45696-45707. PNNL-SA-161938. doi:10.1021/acsami.1c11018
  • Thallapally P.K. 2021. Metal Organic Frameworks for Noble Gas Management in the Liquid Fluoride Thorium Reactor (LFTR) - CRADA 459. PNNL-SA-161158. Richland, WA: Pacific Northwest National Laboratory.
  • Zheng J., M. Wahiduzzaman, D. Barpaga, B.A. Trump, O.Y. Gutierrez-Tinoco, P.K. Thallapally, and S. Ma, et al. 2021. "Porous Covalent Organic Polymers for efficient Fluorocarbon-based Adsorption Cooling." Angewandte Chemie International Edition 60, no. 33:18037-18043. PNNL-SA-153417. doi:10.1002/anie.202102337


  • Chakraborty D., S. Nandi, R. Maity, R.K. Motkuri, K. Han, S. Collins, and P.H. Humble, et al. 2020. "An Ultra-microporous Metal-Organic Framework with Exceptional Xe Capacity." Chemistry - A European Journal 26, no. 55:Article No.12544. PNNL-SA-151859. doi:10.1002/chem.202002331
  • Elsaidi S., D. Ongari, M.H. Mohamed, W. Xu, R.K. Motkuri, M. Haranczyk, and P.K. Thallapally. 2020. "Metal Organic Frameworks for Xenon Storage Applications." ACS Materials Letters 2, no. 3:233-238. PNNL-SA-150079. doi:10.1021/acsmaterialslett.9b00468
  • Elsaidi S., M.H. Mohamed, A.S. Helal, M. Galanek, T. Pham, S. Suepaul, and B. Space, et al. 2020. "Radiation-Resistant Metal-Organic Framework Enables Efficient Separation of Krypton Fission Gas from Spent Nuclear Fuel." Nature Communications 11, no. 1:Article No. 3103. PNNL-SA-149084. doi:10.1038/s41467-020-16647-1
  • Han Y., M.A. Sinnwell, R.G. Surbella, W. Xue, H. Huang, J. Zheng, and B. Peng, et al. 2020. "Postsynthetic Oxidation of the Coordination Site in a Heterometallic Metal-Organic Framework: Tuning Catalytic Behaviors." Chemistry of Materials 32, no. 12:5192-5199. PNNL-SA-148450. doi:10.1021/acs.chemmater.0c01267
  • Lucero J., J.B. Jasinski, M. Song, D. Li, L. Liu, J. Liu, and J.J. De Yoreo, et al. 2020. "Synthesis of porous organic cage CC3 via solvent modulated evaporation." Inorganica Chimica Acta 501. PNNL-SA-155960. doi:10.1016/j.ica.2019.119312
  • Moore R.C., C.I. Pearce, J.W. Morad, S. Chatterjee, T.G. Levitskaia, R.M. Asmussen, and A.R. Lawter, et al. 2020. "Iodine Immobilization by Materials through Sorption and Redox-Driven Processes: A Literature Review." Science of the Total Environment 716. PNNL-SA-138461. doi:10.1016/j.scitotenv.2019.06.166
  • Pearce C.I., R.C. Moore, J.W. Morad, R.M. Asmussen, S. Chatterjee, A.R. Lawter, and T.G. Levitskaia, et al. 2020. "Technetium Immobilization by Materials through Sorption and Redox-Driven Processes: A Literature Review." Science of the Total Environment 716. PNNL-SA-138464. doi:10.1016/j.scitotenv.2019.06.195
  • Riley B.J., S. Chong, W. Kuang, T. Varga, A.S. Helal, M. Galanek, and J. Li, et al. 2020. "Metal-Organic Framework-Polyacrylonitrile Composite Beads for Xenon Capture." ACS Applied Materials & Interfaces 12, no. 40:45342-45350. PNNL-SA-154134. doi:10.1021/acsami.0c13717
  • Sinnwell M.A., Q. Miller, L. Liu, J. Tao, M.E. Bowden, L. Kovarik, and D. Barpaga, et al. 2020. "Kinetics and Mechanisms of ZnO to ZIF-8 Transformations in Supercritical CO2 Revealed by in situ X-ray Diffraction." ChemSusChem 13, no. 10:2602-2612. PNNL-SA-149718. doi:10.1002/cssc.202000434
  • Sinnwell M.A., Q. Miller, L. Palys, D. Barpaga, L. Liu, M.E. Bowden, and Y. Han, et al. 2020. "Molecular Intermediate in the Directed Formation of a Zeolitic Metal-Organic Framework." Journal of the American Chemical Society 142, no. 41:17598-17606. PNNL-SA-154537. doi:10.1021/jacs.0c07862
  • Tao J., M. Lee, M.L. Sushko, J.J. De Yoreo, J. Liu, Z. Zhang, and D. Banerjee, et al. 2020. "Controlling Metal-Organic Framework/ZnO heterostructure kinetics through selective ligand binding to ZnO surface steps." Chemistry of Materials 32, no. 15:6666-6675. PNNL-SA-153263. doi:10.1021/acs.chemmater.0c02123
  • Thallapally P.K., J. Liu, M.A. Sinnwell, and R.K. Motkuri. 2020. "Noble Gas Separation using Metal Organic Frameworks at Low Temperature." In GLOBAL 2019 - International Nuclear Fuel Cycle Conference and TOP FUEL 2019 - Light Water Reactor Fuel Performance Conference, September 22-27, 2019, Seattle, WA. La Grange Park, Illinois:American Nuclear Society. PNNL-SA-146852.


  • Chakraborty D., S. Nandi, M.A. Sinnwell, J. Liu, R. Kushwaha, P.K. Thallapally, and R. Vaidhyanathan. 2019. "Hyper-Cross-linked Porous Organic Frameworks with Ultramicropores for Selective Xenon Capture." ACS Applied Materials & Interfaces 11, no. 14:13279-13284. PNNL-SA-140970. doi:10.1021/acsami.9b01619
  • Forrest K.A., T. Pham, S.K. Elsaidi, M.H. Mohamed, P.K. Thallapally, M.J. Zaworotko, and B. Space. 2019. "Investigating CO2 Sorption in SIFSIX-3-M (M = Fe, Co, Ni, Cu, Zn) Through Computational Studies." Crystal Growth & Design 19, no. 7:3732-3743. PNNL-SA-141171. doi:10.1021/acs.cgd.9b00086
  • Han Y., K. Liu, M.A. Sinnwell, L. Liu, H. Huang, and P.K. Thallapally. 2019. "Direct Observation of Li+ Ions Trapped in a Mg2+-Templated Metal- Organic Framework." Inorganic Chemistry 58, no. 14:8922-8926. PNNL-SA-147562. doi:10.1021/acs.inorgchem.9b01207
  • Han Y., M.A. Sinnwell, S.J. Teat, M.L. Sushko, M.E. Bowden, Q. Miller, and H.T. Schaef, et al. 2019. "Desulfurization Efficiency Preserved in a Heterometallic MOF: Synthesis and Thermodynamically Controlled Phase Transition." Advanced Science 6, no. 7:1802056. PNNL-SA-136448. doi:10.1002/advs.201802056
  • Maity K., K. Nath, M.A. Sinnwell, R.K. Motkuri, P.K. Thallapally, and K. Biradha. 2019. "Isoreticular Expansion of Metal-Organic Frameworks via Pillaring of Metal Templated Tunable Building Layers: Hydrogen Storage and Selective CO2 Capture." Chemistry - A European Journal 25, no. 64:14500-14505. PNNL-SA-150238. doi:10.1002/chem.201902491
  • Sun Q., L. Zhu, P.K. Thallapally, C. Xu, S. Wang, C. Jing, and R.M. David, et al. 2019. "Optimizing Radionuclide Sequestration in Anion Nanotraps with Record Pertechnetate Sorption." Nature Communications 10, no. 2019:1646. PNNL-SA-141179. doi:10.1038/s41467-019-09630-y
  • Sun Q., Y. Tang, B.A. Aguila, S. Wang, F. Xiao, P.K. Thallapally, and A.M. Al-Enizi, et al. 2019. "Reaction Environment Modification in Covalent Organic Frameworks for Catalytic Performance Enhancement." Angewandte Chemie International Edition 58, no. 26:8670-8675. PNNL-SA-148196. doi:10.1002/anie.201900029
  • 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
  • Elsaidi S.K., M.A. Sinnwell, A. Devaraj, T.C. Droubay, Z. Nie, V. Murugesan, and B.P. McGrail, et al. 2018. "Extraction of Rare Earth Elements using Magnetite@MOF Composites." Journal of Materials Chemistry A 6, no. 38:18438-18443. PNNL-SA-136516. doi:10.1039/c8ta04750b
  • Lucero J., S. Elsaidi, R. Anderson, T. Wu, D.A. G�mez-Gualdr�n, 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
  • Sun Q., B.A. Aguila, L.D. Earl, C.W. Abney, L. Wojtas, P.K. Thallapally, and S. Ma. 2018. "Covalent Organic Frameworks as a Decorating Platform for Utilization and Affinity Enhancement of Chelating Sites for Radionuclide Sequestration." Advanced Materials 30, no. 20:Article Number 1705479. PNNL-SA-132450. doi:10.1002/adma.201705479
  • 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
  • Wu T., J. Lucero, M.A. Sinnwell, P.K. Thallapally, and M.A. Carreon. 2018. "Recovery of xenon from air over ZIF-8 membranes." Chemical Communications 54, no. 65:8976-8979. PNNL-SA-136414. doi:10.1039/c8cc04154g
  • Wu T., J. Lucero, Z. Zong, S.K. Elsaidi, P.K. Thallapally, and M.A. Carreon. 2018. "Microporous Crystalline Membranes for Kr/Xe Separation: Comparison between AlPO-18, SAPO-34, and ZIF-8." ACS Applied Nano Materials 1, no. 1:463-470. PNNL-SA-136458. doi:10.1021/acsanm.7b00343


  • 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
  • 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. Magnetic Partitioning Nanofluid for Rare Earth Extraction from Geothermal Fluids
  • 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
  • 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


  • 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
  • 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
  • Chen X., A.M. Plonka, D. Banerjee, R. Krishna, H.T. Schaef, S. Ghose, and P.K. Thallapally, et al. 2015. "Direct Observation of Xe and Kr Adsorption in a Xe-Selective Microporous Metal-Organic Framework." Journal of the American Chemical Society 137, no. 22:7007-7010. PNNL-SA-111088. doi:10.1021/jacs.5b02556
  • 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
  • Motkuri R.K., P.K. Thallapally, H.V. Annapureddy, L.X. Dang, R. Krishna, S.K. Nune, and C.A. Fernandez, et al. 2015. "Separation of polar compounds using a flexible metal-organic framework." Chemical Communications 51, no. 40:8421-8424. PNNL-SA-106787. doi:10.1039/c5cc00113g
  • 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. Demonstrate the removal efficiency and capacity of MOF materials for krypton recovery
  • 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. Engineering Report on the Fission Gas Getter Concept
  • 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. Initial proof-of-principle for near room temperature Xe and Kr separation from air with MOFs
  • 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. Summary Report on the Volatile Radionuclide and Immobilization Research for FY2011 at PNNL
  • 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. Summary Report for the Development of Materials for Volatile Radionuclides
  • 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. Processes for Removal and Immobilization of 14C, 129I, and 85Kr
  • 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