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Praveen Thallapally

Praveen Thallapally

Materials Chemistry
Pacific Northwest National Laboratory
PO Box 999
Richland, WA 99352
(509) 371-7183

Biography

Dr. Thallapally was a post-doctoral research associate (2003 to mid-2006) at the University of Missouri-Columbia with Professor Jerry L. Atwood where he developed nonporous crystals, which transport neutral and charged species across the crystal despite the lack of channels (Angew. Chem. 2006, Angew. Chem. 2006, Chem. Comm. 2006, and Science 2005 highlight). Dr. Thallapally also developed a new class of compounds called frustrated organic solids for gas storage and separation (JACS 2006).

Research Interests

  • Carbon management and global warming
  • Crystal engineering, supramolecular chemistry and nanotechnology
  • Gas storage and separation
  • Carbon capture and hydrogen storage
  • Water purification
  • Solid-state phase transformations
  • Polymorphism, supramolecular isomorphism and isostructurality
  • Single-crystal X-ray and powder diffraction
  • Gas hydrates
  • Sensor applications
  • Second harmonic generation and nonlinear optical applications
  • Super-phase change materials

Education and Credentials

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

Affiliations and Professional Service

  • Member of American Chemical Society
  • Peer reviewer for Crystal Growth & Design (ACS), Royal Society of Chemistry and Chem. Eur. J. (Wiley)

Awards and Recognitions

  • 2008. “Ronald L. Brodzinski Award for Early Career Exceptional Achievement”

PNNL Publications

2013

  • 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

2012

  • 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
  • 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

2011

  • 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 PNNL. PNNL-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

2010

  • 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, A Dohnalkova, CM Wang, J Liu, and GJ Exarhos. 2010. "Synthesis and Properties of Nano Zeolitic Imidazolate Frameworks." Chemical Communications 46(27):4878-4880. 
  • 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
  • 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 Radionuclides. PNNL-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

2009

  • 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 85Kr. PNNL-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

2008

  • 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

2007

  • 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. 

2006

  • 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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