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College of Arts and Sciences

Awards and Publications

Awards

Otega Ejegbavwo

Department of Chemistry and Biochemistry
University of South Carolina


Christian Juillerat

Department of Chemistry and Biochemistry
University of South Carolina


Kristen Pace

Department of Chemistry and Biochemistry
University of South Carolina


Jake Amoroso, Ph.D.

Savannah River National Laboratory


Kyle Brinkman, Ph.D.

Department of Materials Science and Engineering
Clemson University


Vancho Kocevski, Ph.D.

Department of Mechanical Engineering
University of South Carolina


Simon Phillpot, Ph.D.

Department of Materials Science and Engineering
University of Florida

  • 2017 Doctoral Dissertation Adviser/Mentor Award
  • Inaugural University of Florida Term Professorship (2017-2019)
  • Distinguished Professor (University of Florida), 2019
  • Vladimir A. Grodsky Professor of Materials Science and Engineering, 2019

Natalia Shustova, Ph.D.

Department of Chemistry and Biochemistry 
University of South Carolina


Hans-Conrad zur Loye, Ph.D.

Department of Chemistry and Biochemistry
University of South Carolina 


Publications

K. C. Park, J. Lim, G. C. Thaggard, N. B. Shustova
Journal of the American Chemical Society
2024 (submitted)

J. Lim, K. C. Park, G. C. Thaggard, Y. Liu, B. K. P. Maldeni Kankanamalage, D. J. Toler, A. T. Ta, P. Kittikhunnatham, M. D. Smith, S. R. Phillpot, N. B. Shustova
Friends or Foes: Fundamental Principles of Th-Organic Scaffold Chemistry Using Zr-Analogs as a Guide
Journal of the American Chemical Society
2024

G. Morrison, V. G. Jones, K. P. Zamorano, J. E. Greedan, H.-C. zur Loye
Flux Synthesis, UV–vis Absorbance, and Magnetism of Cesium Copper Silicates with an Isolated Super-Super Exchange Spin Dimer in Cs6Cu2Si9O23
Inorganic Chemistry
2024

N. S. Cassell, N. Birkner, A. K. Mishra, S. Jadhav, A. M. Mofrad, T. M. Bessmann, J. W. Amoroso, Y. Li, L. Wang, K. S. Brinkman
A-site occupancy effects on structure, ionic conductivity, and thermodynamic stability of KxMgx/2Ti8−x/2O16
MRS Advances
2024

H. B. Tisdale, A. M. Mofrad, G. Morrison, T. M. Besmann, H.-C. zur Loye
Rb2Ln[Si2O6]F (Ln = Y, Eu–Lu): Flux Synthesis, Structure Determination, and DFT-Calculated Formation Enthalpies of a Series of Mixed-Anion Rare Earth Cyclosilicates
Inorganic Chemistry
2023

K. C. Park, P. Kittikhunnatham, J. Lim, G. C. Thaggard, Y. Liu, C. R. Martin, G. A. Leith, D. Toler, A. T. Ta, N. Birkner, I. Lehman-Andino, A. Hernandez-Jimenez, G. Morrison, J. W. Amoroso, H.-C.  zur Loye, D. P. DiPrete, M. D. Smith, K. S. Brinkman, S. R. Phillpot, N. B. Shustova
The Highly Operational Team (HOT) toward f-Block Materials
Angewandte Chemie
2023

T. Deason, A. Hines, G. Morrison, M. Smith, T. Besmann, A. Mofrad, F. Fondeur, I. Lehman-Andino, J. Amoroso, D. DiPrete, H.-C. zur Loye
Flux Crystal Growth of the Extended Structure Pu(V) Borate Na2(PuO2)(BO3)
Journal of the American Chemical Society

2023


V. Proust, A. Gossard, J. Schaeperkoetter, S. Vannier, T. David, Y. Barré, S. Misture, A. Grandjean, H.-C. zur Loye
Design and characterization of hierarchical aluminosilicate composite materials for Cs entrapment: Adsorption efficiency tied to microstructure
Journal of Water Process Engineering

2023


M. Usman, M. Christian, M. Smith, T. Besmann, H.-C. zur Loye
DFT-guided flux synthesis of a family of layered titanates crystallizing in the lepidocrocite structure type
Solid State Sciences

2023


A. Hines, G. Morrison, B. Yarbrough, N. Shustova, L. Jacobsohn, H.-C. zur Loye
Luminescence of alkali rare earth borates A3Ln(BO3)2 (A = Na, K; Ln = Eu, Tb)
Solid State Sciences

2023


K.C. Park, P. Kittikhunnatham, J. Lim, G. Thaggard, Y. Liu, C. Martin, G. Leith, D. Toler, A. Ta, N. Birkner, I. Lehman‐Andino, A. Hernandez‐Jimenez, G. Morrison, J. Amoroso, H.‐C. zur Loye, D. DiPrete, M. Smith, K. Brinkman, S. Phillpot, N. Shustova
f-block MOFs: A Pathway to Heterometallic Transuranics
Angewandte Chemie

2023


T. Deason, G. Morrison, A. Mofrad, H.B. Tisdale, J. Amoroso, D. DiPrete, G. Was, K. Sun, T. Besmann, H.-C. zur Loye
Developing Waste Forms for Transuranic Elements: Quaternary Neptunium Fluorides of the Type NaxMNp6F30 (M = Ti, V, Cr, Mn, Fe, Co, Ni, Al, Ga),
Journal of the American Chemical Society

2022


Y. Li, S. Hu, R. Montgomery, A. Grandjean, T. Besmann, H.-C. zur Loye
Effect of Charge and Anisotropic Diffusivity on Ion Exchange Kinetics in Nuclear Waste Form Materials,
Journal of Nuclear Materials

2022


A.T. Hines, G. Morrison, H.B. Tisdale, M.D. Smith, T.M. Besmann, A. Mofrad, M. Aziziha, R.E. Booth, K. Sun, G.S. Was, H.-C. zur Loye
Crystallization of A3Ln(BO3)2 (A = Na, K; Ln = Lanthanide) from a Boric Acid Containing Hydroxide Melt: Synthesis and Investigation of Lanthanide Borates as Potential Nuclear Waste Forms
Inorganic Chemistry
2022


M. Zhao, N. Birkner, J. Schaeperkoetter, R.J. Koch, P. Russell, S.T. Misture, T. Besmann, J. Amoroso, K.S. Brinkman
Durable Cr‐substituted (Ba,Cs)1.33(Cr,Ti)8O16 hollandite waste forms with high Cs loading
Journal of the American Ceramic Society
2022, Volume 105, (pgs. 4564 - 4576)


H.B. Tisdale, M.S. Christian, G. Morrison, T.M. Besmann, K. Sun, G.S. Was, H.-C. zur Loye
Investigation of Rare Earth-Containing Double Phosphates of the Type A3Ln(PO4)2 (Ln = Y, La, Pr, Nd, and Sm–Lu) as Potential Nuclear Waste Forms
Chemistry of Materials
2022, Volume 34, (pgs. 3819–3830)


Y. Li, S. Hu, F.W. Hilty, R. Montgomery, K.C. Park, C.R. Martin, N.B. Shustova, Y. Liu, S.R. Phillpot
Leaching model of radionuclides in metal-organic framework particles
Computational Materials Science
2022, Volume 201, (pgs. 110886)


G. Morrison, H.-C. zur Loye
Uranyl Titanate Silicates: Syntheses, Structures, and Family Relations
Crystal Growth & Design
2022, Volume 22, (pgs. 1221 - 1228)


M.S. Christian, K.A. Pace, V.V. Klepov, G. Morrison, H.-C. zur Loye, T.M. Besmann
A Density-Functional Theory Structural Database for Discovery of Novel Actinide Waste Forms
Crystal Growth & Design
2021, Volume 21, (pgs. 5100 - 5107)


C.R. Martin, G.A. Leith, N.B. Shustova
Beyond structural motifs: the frontier of actinide-containing metal–organic frameworks
Chemical Science
2021, Volume 12, (pgs. 7214 - 7230)


K.A. Pace, V.V. Klepov, A.A. Berseneva, H.-C. zur Loye
Covalency in Actinide Compounds
Chemistry – A European Journal
2021, Volume 27, (pgs. 5835 - 5841)


N. Massoni, S. Le Gallet, L. Campayo, R.J. Koch, S.T. Misture, A. Grandjean, F. Bernard
Densification of non-radioactive porous siliceous particles loaded with cesium potassium copper hexacyanoferrate by spark plasma sintering
Journal of the European Ceramic Society
2021, Volume 41, (pgs. 1506 - 1513)


A. Gossard, N. Fabrègue, T. David, A. Grandjean
Effects of the zeolite concentration on the microstructure of high internal phase emulsions stabilized by surfactant-coated zeolite particles
Colloids and Surfaces A: Physicochemical and Engineering Aspects
2021, Volume 625, (pgs. 126853)


A.T. Hines, G. Morrison, M.D. Smith, H.-C. zur Loye
Flux crystal growth of cesium bismuth silicates Cs3BiSi8O19 and Cs4Bi2Si8O21: Structure modification via Eu doping to yield Cs4Bi1.72Eu0.28Si8O21 and alkali metal ion exchange to yield Cs0.79K2.21BiSi8O19
Solid State Sciences
2021, Volume 18 (pgs. 106637s)


N. Birkner, C. Li, S.L. Estes, K.S. Brinkman
Gallium-Doping Effects on Structure, Lithium-Conduction, and Thermochemical Stability of Li7-3xGaxLa3Zr2O12 Garnet-Type Electrolytes
ChemSusChem
2021, Volume 14, (pgs. 2621 - 2630)


T.M. Besmann, J. Schorne-Pinto
Developing Practical Models of Complex Salts for Molten Salt Reactors
Preprints
2021, #2021060110


C.R. Martin, G.A. Leith, P. Kittikhunnatham, K.C. Park, O.A. Ejegbavwo, A. Mathur, C.R. Callahan, S.L. Desmond, M.R. Keener, F. Ahmed, S. Pandey, M.D. Smith, S.R. Phillpot, A.B. Greytak, N.B. Shustova
Heterometallic ActinideContaining Photoresponsive MetalOrganic Frameworks: Dynamic and Static Tuning of Electronic Properties
Angewandte Chemie
2021, Volume 133, Issue 15 (pgs. 8152-8160)


K.A. Pace, V.V. Klepov, M.D. Smith, T. Williams, G. Morrison, J.A. Lauterbach, S.T. Misture, H.-C. zur Loye
Hydrothermal Synthesis and Structural Investigation of a Crystalline Uranyl Borosilicate 
Inorganics
2021, Volume 9, Issue 4 (pg. 25)


M. Christian, E.R. Johnson, T.M. Besmann
Interplay between London Dispersion, Hubbard U and Metastable States for Uranium Compounds 
The Journal of Physical Chemistry A
2021, Volume 125, Issue 13 (pgs. 2791-2799)


G. Morrison and H.-C. zur Loye
Expanding the Chemistry of Salt-Inclusion Materials: Utilizing the Titanyl Ion as a Structure Directing Agent for the Targeted Synthesis of Salt-Inclusion Titanium Silicates 
Crystal Growth & Design
2020, Volume 20, Issue 12 (pgs. 8071-8078)


M. Usman, V. Kocevski, M.D. Smith, T. Besmann, H.-C. zur Loye 
Salt-flux synthesis, crystal structure, and theoretical characterization of Rb0.74Ga6.62Ti0.38O11
Solid State Sciences
2020, Volume 109 (pg. 106394)


G. Morrison, M.S. Christian, T.M. Besmann, H.-C. zur Loye
Flux Growth of Uranyl Titanates: Rare Examples of TiO4 Tetrahedra and TiO5 Square Bipyramids
Journal of Physical Chemistry A
2020, Volume 124, Issue 45 (pgs. 9487-9495)


N. Massoni, S. Le Gallet, L. Campayo, R.J. Koch, S.T. Misture, A. Grandjean, F. Bernard
Densification of non-radioactive porous siliceous particles loaded with cesium potassium copper hexacyanoferrate by spark plasma sintering
Journal of the European Ceramic Society
2020, Volume 41, Issue 2 (pgs. 1506-1513)


M. Zhao, J.W. Amoroso, K.M. Fenker, D.P. Diprete, S. Misture, S. Utlak, T. Besmann, K. Brinkman 
The Effect of Cesium Content on the Thermodynamic Stability and Chemical Durability of (Ba,Cs)1.33(Al,Ti)8O16 Hollandite
Journal of the American Ceramic Society
2020, Volume 103, Issue 12 (pgs. 7310-7321)


D. Li, N.B. Shustova, C.R. Martin, K. Taylor-Pashow, J.C. Seaman, D.I. Kaplan, J.W. Amoroso, R. Chernikov
Anion-Exchanged and Quaternary Ammonium Functionalized MIL-101-Cr Metal-Organic Framework (MOF) for ReO4-/TcO4- Sequestration from Groundwater 
Journal of Environmental Radioactivity
2020, Volume 222 (pg. 106372)


K.A. Pace, V.V. Klepov, T.K. Deason, M.D. Smith, G.B. Ayer, D.P. Diprete, J.W. Amoroso, H.-C. zur Loye
Expansion of the Na3MIII(Ln/An)6F30 Series: Incorporation of Plutonium into a Highly Robust and Stable Framework
Chemistry - A European Journal
2020, Volume 26, Issue 57 (pgs. 12941-12944)


K.A. Pace, V.V. Klepov, M.S. Christian, G. Morrison, T.K. Deason, T.M. Besmann, D.P. Diprete, J.W. Amoroso, H.-C. zur Loye
Targeting Complex Plutonium Oxides by Combining Crystal Chemical Reasoning with Density-Functional Theory Calculations: The Quaternary Plutonium Oxide Cs2PuSi6O15 
Chemical Communications
2020, Volume 56, Issue 66 (pgs. 9501-9504)


R.J. Koch, G. Li, S. Pandey, S.R. Phillpot, H. Wang, S.T. Misture
Complex Modeling for the Quantification of Nanoscale Disorder Using Genetic Algorithms, Density Functional Theory and Line-Profile Analysis
Journal of Applied Crystallography
2020, Volume 53, Issue 4 (pgs. 1087-1100)


O.A. Ejegbavwo, A.A. Berseneva, C.R. Martin, G.A. Leith, S. Pandey, A.J. Brandt, K.C. Park, A. Mathur, S. Farzandh, V.V. Klepov, B.J. Heiser, M. Chandrashekhar, S.G. Karakalos, M.D. Smith, S.R. Phillpot, S. Garashchuk, D.A. Chen, N.B. Shustova
Heterometallic multinuclear nodes directing MOF electronic behavior
Chemical Science
2020, Volume 11, Issue 28 (pgs. 7379-7389)


A. Grass, J.A. Bellow, G. Morrison, H.-C. zur Loye, R.L. Lord, S. Groysman 
One electron reduction transforms high-valent low-spin cobalt alkylidene into high-spin cobalt(II) carbene radical
Chemical Communications
2020, Volume 56, Issue 60 (pgs. 8416-8419)


C.A. Juillerat, V. Kocevski,V.V. Klepov, J.W. Amoroso, T.M. Besmann, H.-C. zur Loye
Structure and Stability of Alkali Gallates Structurally Reminiscent of Hollandite
Journal of the American Ceramic Society
2020, Volume 103, Issue 11 (pgs. 6531-6542)


M. Usman, V. Kocevski, M.D. Smith, G. Morrison, W. Zhang, T. Besmann, P.S. Halasyamani, H.-C. zur Loye 
Polymorphism and Molten Nitrate Salt-Assisted Single Crystal to Single Crystal Ion Exchange in Zeolitic Cesium Ferrogermanate: CsFeGeO4  
Inorganic Chemistry 
2020, Volume 59, Issue 14 (pgs. 9699-9709)


V.V. Klepov, A.A. Berseneva, K.A. Pace, V. Kocevski, M. Sun, P. Qiu, H. Wang, F. Chen, T.M. Besmann, H.-C. zur Loye
NaGaS2: An Elusive Layered Compound with Dynamic Water Absorption and Wide-Ranging Ion-Exchange Properties 
Angewandte Chemie International Edition 
2020, Volume 59, Issue 27, (pgs. 10836-10841) 


S. Pandey, B. Demaske, O.A. Ejegbavwo, W. Setyawan, C.H. Henager, N. Shustova, S.R. Phillpot
Electronic Structures and Magnetism of Zr-, Th-, and U-based Metal-Organic Frameworks (MOFs) by Density Functional Theory 
Computational Materials Science
2020, Volume 184 (pg. 109903)


M.P. Moloney, N. Massoni, A. Grandjean
Tuning the thermal stability of copper(II) hexacyanoferrate(II) nanoparticles
Journal of Thermal Analysis and Calorimetry
2020, DOI: 10.1007/s10973-020-09823-4


N. Massoni, M. Moloney, A. Grandjean, S.T. Misture, H.-C. zur Loye
Crystal structure of dicaesium strontium hexacyanidoferrate(II), Cs2Sr[Fe(CN)6], from laboratory X-ray powder data
Acta Crystallographica Section E
2020, Volume 76 (pgs. 900-904)


K.A. Pace, R.J. Koch, M.D. Smith, G. Morrison, V.V. Klepov, T. Besmann, S.T. Misture, H.-C. zur Loye
Crystal Growth of Alkali Uranyl Borates from Molten Salt Fluxes: Characterization and Ion Exchange Behavior of A2(UO2)B2O5 (A=Cs, Rb, K) 
Inorganic Chemistry
2020, Volume 59, Issue 9, (pgs. 6449-6459)


G.G. Li, Z. Wang, H. Wang
Complementing Nanoscale Galvanic Exchange with Redox Manipulation toward Architectural Control of Multimetallic Hollow Nanostructures
ChemNanoMat
2020, Volume 6, Issue 7 (pgs. 998-1013)


C.A. Juillerat, V.V. Klepov, M.D. Smith, H.-C. zur Loye
Targeted Crystal Growth of Uranium Gallophosphates via the Systematic Exploration of the UF4-GaPO4-ACl (A = Cs, Rb) Phase Space
CrystEngComm
2020, Volume 22, (pgs. 3020-3032)


M. Zhao, P. Russell, J. Amoroso, S. Misture, S. Utlak, T. Besmann, L. Shuller-Nickles, K.S. Brinkman
Exploring the links between crystal chemistry, cesium retention, thermochemistry and chemical durability in single-phase (Ba,Cs)1.33(Fe,Ti)8O16 hollandite
Journal of Materials Science  
2020, Volume 55 (pgs. 6401-6416)


I. Colliard, G. Morrison, H.-C. zur Loye, M. Nyman 
Supramolecular Assembly of U(IV) Clusters and Superatoms
Journal of the American Chemical Society
2020, Volume 142, Issue 19 (pgs. 9039-9047)


M. Usman, V. Kocevski, M.D. Smith, G. Morrison, T. Besmann, H.-C. zur Loye 
New Rubidium Containing Mixed-Metal Titanium Hollandites
Crystal Growth & Design  
2020, Volume 20, Issue 4 (pgs. 2398-2405)


C.A. Juillerat, Y. Tsujimoto, A. Chikamatsu, Y. Masubuchi, T. Hasegawa, K. Yamaura
Fluorination and reduction of CaCrO3 by topochemical methods 
Dalton Transactions   
2020, Volume 49, (pgs. 1997-2003)


M. Usman, M.D. Smith, V. Kocevski, T. Besmann, H.-C. zur Loye 
Complex cobalt silicates and germinates crystallizing in a porous three-dimensional framework structure 
CrystEngComm   
2020, Volume 22, (pgs. 1112-1119)


M.P. Moloney, N. Massoni, S. Egodawatte, H.-C. zur Loye, A. Grandjean
A Solvent Free Approach for the Preparation of Silver Modified Mesoporous Silica for Iodine Entrapment
Journal of Inorganic and Organometallic Polymers and Materials    
2020, Volume 30, (pgs. 2756-2763)


V.V. Klepov, K.A. Pace, L.S. Breton, V. Kocevski, T. Besmann, H.-C. zur Loye 
Nearly Identical but Not Isotypic: Influence of Lanthanide Contraction on Cs2NaLn(PS4)2 (Ln = La-Nd, Sm, and Gd-Ho) 
Inorganic Chemistry   
2020, Volume 59, Issue 3, (pgs. 1905-1916)


N. Massoni, R.J. Koch, A. Hertz, L. Campayo, M.P. Moloney, S.T. Misture, A. Grandjean
Structural effects of calcination on Cs-exchanged copper hexacyanoferrate (Cs,K)2CuFe(CN)6 loaded on mesoporous silica particles
Journal of Nuclear Materials
2020, Volume 528, pg. 151887


A.A. Berseneva, C.R. Martin, V.A. Galitskiy, O.A. Ejegbavwo, G.A. Leith, R.T. Ly, A.M. Rice, E.A. Dolgopolova, M.D. Smith, H.-C. zur Loye, D.P. Diprete, J.W. Amoroso, N.B. Shustova
"Boarding-Up": Radiation Damage and Radionuclide Leaching Kinetics in Linker-Capped Metal-Organic Frameworks  
Inorganic Chemistry   
2020, Volume 59, Issue 1 (pgs. 179-183)


V.V. Klepov, L.S. Breton, K.A. Pace, V. Kocevski, T. Besmann, H.-C. zur Loye 
Size-Driven Stability of Lanthanide Thiophosphates Grown from an Iodide Flux 
Inorganic Chemistry   
2019, Volume 58, Issue 9, (pgs. 6565-6573)


S. Pandey, Z. Jia, B. Demaske, O.A. Ejegbavwo, W. Setyawan, C.H. Henager, N.B. Shustova, S.R. Phillpot
Sequestration of Radionuclides in Metal-Organic Frameworks from Density Functional Theory Calculations
The Journal of Physical Chemistry C 
2019, Volume 123, Issue 44 (pgs. 26842-26855)


N.R. Spagnuolo, G. Morrison, H.-C. zur Loye
Synthesis and crystal structure of [(Cs6F)(Cs3AgF)][Ge14O32] through alkali halide flux growth
Solid State Sciences
2019, Volume 97, Article 105973


G. Morrison, N.R. Spagnuolo, S.G. Karakalos, H.-C. zur Loye
Cs3REIIIGe3O9 (RE = Pr, Nd, and Sm-Yb) and Cs8TbIII2TbIVGe9O27: A Rare Example of a Mixed-Valent Tb(III)/Tb(IV) Oxide 
Inorganic Chemistry
2019, Volume 19, Issue 10 (pgs. 5477-5482)


V. Kocevski, S.Y. Hu, T. Besmann
Alkaline earth ion exchange study of pure silica LTA zeolites using periodic first-principles calculations
New Journal of Chemistry
2019, Volume 43, (pgs. 16835-16840)


G. Morrison, V. Kocevski, S.T. Misture, N.R. Spagnuolo, A.T. Hines, T. Besmann, H.-C. zur Loye
Superwadeites: Elucidation of a Structural Family Related to the Wadeite Structure and Prediction of Cs2Ge5O11
Crystal Growth & Design
2019, Volume 19, Issue 10 (pgs. 5477-5482)


C.A. Juillerat, V. Kocevski, G. Morrison, S.G. Karakalos, D. Patil, S.T. Misture, T. Besmann, H.-C. zur Loye
Flux Crystal Growth of Uranium(V) Containing Oxyfluoride Perovskites  
Inorganic Chemistry Frontiers   
2019, Volume 6, (pgs. 3203-3214)


M.P. Moloney, C. Cabaud, N. Massoni, S. Stafford, Y.K. Gun'ko, M. Venkatesan, A. Grandjean
Searching for the nano effect in Cu-HCF (II) particles to improve Cs sorption efficiency: Highlighting the use of intrinsic magnetism 
Colloids and Surfaces A: Physicochemical and Engineering Aspects    
2019, Volume 582, pg. 123758


C. Cabaud, Y. Barré, L. De Windt, A. Grandjean
Linking the multiscale porous structure of hexacyanoferrate-loaded silica monoliths to their hydrodynamic and cesium sorption properties  
Separation and Purification Technology   
2019, Volume 229, pg. 115796


S. Pandey, R.J. Koch, G. Li, S.T. Misture, H. Wang, S.R. Phillpot
Thermodynamics and kinetics of ordered and disordered Cu/Au alloys from first principles calculations
Journal of Alloys and Compounds  
2019, Volume 809, pg. 151615


C.A. Juillerat, V. Kocevski, T. Besmann, H.-C. zur Loye
Observation of the Same New Sheet Topology in Both the Layered Uranyl Oxide-Phosphate Cs11[(UO2)12(PO4)3O13] and the Layered Uranyl Oxyfluoride-Phosphate Rb11[(UO2)12(PO4)3O12F2] Prepared by Flux Crystal Growth   
Frontiers in Chemistry   
2019, Volume 7, Article 583


A.M. Rice, G.A. Leith, O.A. Ejegbavwo, E.A. Dolgopolova, N.B. Shustova
Heterometallic Metal-Organic Frameworks (MOFs): The Advent of Improving the Energy Landscape    
ACS Energy Letters 
2019, Volume 4, Issue 8 (pgs. 1938-1946)


O.A. Ejegbavwo, C.R. Martin, O.A. Olorunfemi, G.A. Leith, R.T. Ly, A.M. Rice, E.A. Dolgopolova, M.D. Smith, S.G. Karakalos, N. Birkner, B.A. Powell, S. Pandey, R.J. Koch, S.T. Misture, H.-C. zur Loye, S.R. Phillpot, K.S. Brinkman, N.B. Shustova
Thermodynamics and Electronic Properties of Heterometallic Multinuclear Actinide-Containing Metal-Organic Frameworks with "Structural Memory"  
Journal of the American Chemical Society   
2019, Volume 141, Issue 29 (pgs. 11628-11640)


S.A. Utlak, T. Besmann, K.S. Brinkman, J. Amoroso
Thermodynamic assessment of the hollandite high-level radioactive waste form  
Journal of the American Ceramic Society   
2019, Volume 102, Issue 10 (pgs. 6284-6297)


C.A. Juillerat, V. Kocevski, T. Besmann, H.-C. zur Loye
Discovery of Cs2(UO2)Al2O5 by Molten Flux Methods: A Uranium Aluminate Containing Solely Aluminate Tetrahedra as the Secondary Building Unit   
Inorganic Chemistry   
2019, Volume 58, Issue 7 (pgs. 4099-4102)


C. Cabaud, Y. Barré, L. De Windt, S. Gill, E. Dooryhée, M.P. Moloney, N. Massoni, A. Grandjean
Removing Cs within a continuous flow set-up by an ionic exchange material transformable into a final waste form  
Adsorption   
2019, Volume 25, Issue 4 (pgs. 765-771)


C.A. Juillerat, V.V. Klepov, G. Morrison, K.A. Pace, H.-C. zur Loye
Flux crystal growth: a versatile technique to reveal the crystal chemistry of complex uranium oxides 
Dalton Transactions   
2019, Volume 48, Issue 10 (pgs. 3162-3181)


C.A. Juillerat and H.-C. zur Loye
Crystal Growth and Structure Characterization of Three Layered Uranyl Phosphates and Their Relation to the Phosphuranylite Family 
Crystal Growth & Design   
2019, Volume 19, Issue 2 (pgs. 1183-1189)


Y.L. Li, B.D. Zeidman, S.Y. Hu, C.H. Henager, T. Besmann, A. Grandjean
A physics-based mesoscale phase-field model for predicting the uptake kinetics of radionuclides in hierarchical nuclear wasteform materials 
Computational Materials Science 
2019, Volume 159 (pgs. 103-109)


R. Grote, M. Zhao, L. Shuller-Nickles, J. Amoroso, W. Gong, K. Lilova, A. Navrotsky, M. Tang, K.S. Brinkman
Compositional control of tunnel features in hollandite-based ceramics: structure and stability of (Ba,Cs)1.33(Zn,Ti)8O16 
Journal of Materials Science 
2019, Volume 54, Issue 2 (pgs. 1112-1125)


V.V. Klepov, C.A. Juillerat, E.V. Alekseev, H.-C. zur Loye
Overstepping Löwenstein's Rule-A Route to Unique Aluminophosphate Frameworks with Three-Dimensional Salt-Inclusion and Ion-Exchange Properties   
Inorganic Chemistry
2019, Volume 58, Issue 1 (pgs. 724-736)


R. Koch, G. Li, S. Pandey, S. Phillpot, H. Wang, S.T. Misture
Thermally induced transformations of Au@Cu2O core-shell nanoparticles into Au-Cu nanoparticles from temperature-programmed in situ powder X-ray diffraction  
Journal of Applied Crystallography 
2019, Volume 52, Issue 3 (pgs. 579-586) 


V. Kocevski, C.A. Juillerat, E.E. Moore, H.-C. zur Loye, T. Besmann
Understanding the Polymorphism of A4[(UO2)3(PO4)2O2] (A = Alkali Metals) Uranyl Phosphate Framework Structures   
Crystal Growth & Design 
2019, Volume 19, Issue 2 (pgs. 966-975)


M. Zhao, Y. Xu, L. Shuller-Nickles, J. Amoroso, A.I. Frenkel, Y. Li, W. Gong, K. Lilova, A. Navrotsky, K.S. Brinkman
Compositional control of radionuclide retention in hollandite-based ceramic waste forms for Cs-immobilization
Journal of the American Ceramic Society 
2019, Volume 102, Issue 7 (pgs. 4314-4324)


K.A. Pace, V.V. Klepov, G. Morrison, H.-C. zur Loye
Moderate supercritical synthesis as a facile route to mixed-valent uranium(IV,V) and (V,VI) silicates  
Chemical Communications
2018, Volume 54, Issue 98 (pgs. 13794-13797) 


V. Kocevski, B.D. Zeidman, C.H. Henager, T.M. Besmann
First-principles evaluation of alkali ion adsorption and ion exchange in pure silica LTA zeolite
The Journal of Chemical Physics
2018, Volume 149, pg. 131102


E.E. Moore, V. Kocevski, C.A. Juillerat, G. Morrison, M. Zhao, K.S. Brinkman, H.-C. zur Loye, T. Besmann
Understanding the Stability of Salt-Inclusion Phases for Nuclear Waste-forms through Volume-based Thermodynamics 
Scientific Reports
2018, Volume 8, Issue 1 (pg. 15294)


G.G. Li and H. Wang
Dealloyed Nanoporous Gold Catalysts: From Macroscopic Foams to Nanoparticulate Architectures 
ChemNanoMat
2018, Volume 4, Issue 9 (pgs. 897-908)


C.A. Juillerat, E.E. Moore, G. Morrison, M.D. Smith, T. Besmann, H.-C. zur Loye
Versatile Uranyl Germanate Framework Hosting 12 Different Alkali Halide 1D Salt Inclusions 
Inorganic Chemistry
2018, Volume 57, Issue 18 (pgs. 11606-11615)


H.-C. zur Loye, T. Besmann, J. Amoroso, K.S. Brinkman, A. Grandjean, C.H. Henager, S. Hu, S.T. Misture, S.R. Phillpot, N.B. Shustova, H. Wang, R.J. Koch, G. Morrison, E. Dolgopolova
Hierarchical Materials as Tailored Nuclear Waste Forms: A Perspective 
Chemistry of Materials
2018, Volume 30, Issue 14 (pgs. 4475-4488)


K.S. Brinkman
An Interdisciplinary View of Interfaces Perspectives Regarding Emergent Phase Formation
Journal of Electrochemical Energy Conversion and Storage
2018, Volume 15, Issue 1 (pg. 011003) 


C.A. Juillerat, E.E. Moore, V. Kocevski, T.M. Besmann, H.-C. zur Loye
A Family of Layered Phosphates Crystallizing in a Rare Geometrical Isomer of the Phosphuranylite Topology: Synthesis, Characterization, and Computational Modeling of A4[(UO2)3O2(PO4)2] (A = alkali metals) Exhibiting Intra-layer Ion Exchange 
Inorganic Chemistry
2018, Volume 57, Issue 8 (pgs. 4726-4738)


K.A. Pace, V. Kocevski, S.G. Karakalos, G. Morrison, T.M. Besmann, H.-C. zur Loye
Na2(UO2)(BO3): An All Uranium(V) Borate Synthesized Under Mild Hydrothermal Conditions 
Inorganic Chemistry
2018, Volume 57, Issue 8 (pgs. 4244-4247)


C.A. Juillerat, E.E. Moore, V. Kocevski, T.M. Besmann, H.-C. zur Loye
Observation of An Unusual Uranyl Cation-Cation Interaction in the Strongly Fluorescent Layered Uranyl Phosphates Rb6[(UO2)7O4(PO4)4] and Cs6[(UO2)7O4(PO4)4]
Inorganic Chemistry
2018, Volume 57, Issue 7 (pgs. 3675-3678)


E.A. Dolgopolova, A.M. Rice, N.B. Shustova
Actinide-based MOFs: A Middle Ground in Solution and Solid-State Structural Motifs
Chemical Communications 
2018, Volume 54, Issue 50 (pgs. 6472-6483)


G.G. Li, M. Sun, E. Villarreal, S. Pandey, S. Phillpot, H. Wang
Galvanic Replacement-Driven Transformations of Atomically Intermixed Bimetallic Colloidal Nanocrystals: Effects of Compositional Stoichiometry and Structural Ordering
Langmuir
2018, Volume 34, Issue 14 (pgs. 4340-4350)


G.G. Li, D.A. Blom, S. Pandey, R. Koch, S. Misture, S. Phillpot, H. Wang
Overcoming the Interfacial Lattice Mismatch: Geometry Control of Gold-Nickel Bimetallic Heteronanostructures
Particle and Particle Systems Characterization
2018, Volume 35, Issue 5 (pg. 1700361)


E.A. Dolgopolova, O.A. Ejegbavwo, C.R. Martin, M.D. Smith, W. Setyawan, S.G. Karakalos, C.H. Henager, H.-C. zur Loye, N.B. Shustova,
Multifaceted Modularity: a Key for Stepwise Building of Hierarchical Complexity in An-MOFs
Journal of the American Chemical Society
2017, Volume 139, Issue 46 (pgs. 16852-16861)


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