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College of Arts & Sciences
Center for Hierarchical Waste Form Materials


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. Massonia, 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
2019, DOI: 10.1016/j.jnucmat.2019.151887

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, 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)

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   

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   

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  

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. 966-975) 

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 

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) 

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 
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
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)