Publications

Publications are given below.

Brugger A, et al., The complex, unique, and powerful imaging instrument for dynamics (CUPI2D) at the Spallation Neutron Source, Rev. Sci. Instrum., 2023 94 (5) 092903 051301

Gong K, Yang K, White CE, Density functional modeling of the binding energies between aluminosilicate oligomers and different metal cations, Front. Mater., 2023, 10, DOI:  https://doi.org/10.3389/fmats.2023.1089216

Li J, Zeng K, Zhong D, Flamant G, Nzihou A, White CE, Yang H, Chen H, Algae pyrolysis in molten NaOH-Na2CO3 for hydrogen production, Environ. Sci. Tech., 2023 57 (16) 6485-6493

Romero Millan LM, Ghogia AC, White CE, Nzihou A, Iron nanoparticles to catalyze graphitization of cellulose for energy storage applications, ACS Appl. Nano Mater., 2023 in press

Ghogia A, Romero Millán LM, White CE, Nzihou A, Synthesis and growth of green graphene from biochar revealed by magnetic properties of iron catalyst, ChemSusChem, 2022 in press

Calabrese S, Wild B, Bertagni MB, Bourg IC, White CE, Aburto F, Cipolla G, Noto LV, Porporato A, Nano-to global-scale uncertainties in terrestrial enhanced weathering, Environ. Sci Technol., 2022 56 (22) 15261-15272

Wild B, White CE, Bourg IC, Molecular dynamics simulations of reverse osmosis in silica nanopores, J. Phys. Chem. C, 2022 126 (21) 9161-9172

Zheng S, Yang, Chen X, White CE, Hu L, Ren ZJ, Upscaling 3D engineered trees for off-grid desalination, Environ. Sci. Technol., 2022 56 (2) 1289-1299

Alventosa KML, Wild B, White CE, The effects of calcium hydroxide and activator chemistry on alkali-activated metakaolin pastes exposed to high temperatures Cem. Concr. Res., 2022 154 106742

Gong K, White CE, Time-dependent phase quantification and local structure analysis of hydroxide-activated slag via X-ray total scattering and molecular modeling, Cem. Concr. Res., 2022 151 106642

Hajimohammadi A, Masoumi S, Kim T, McCaslin E, Alnahhal MF, Almer JD, White CE, Chemo-mechanical properties of carbon fibre reinforced geopolymer interphase, J. Am. Ceram. Soc., 2022 105 (2) 1519-1532

Gong K, White CE, Predicting CaO-(MgO)-Al2O3-SiO2 glass reactivity in alkaline environments from force field molecular dynamics simulations, Cem. Concr. Res., 2021 150 106588

Zhou X, Heiranian M, Yang M, Epsztein R, Gong K, White CE, Hu S, Kim J-H, Elimelech M, Selective fluoride transport in sub-nanometer TiO2 pores, ACS Nano, 2021 15 (10) 16828-16838

McCaslin E, White CE, A parametric study of accelerated carbonation in alkali-activated slag, Cem. Concr. Res., 2021 145 106454

Alventosa KML, White CE, The effects of calcium hydroxide and activator chemistry on alkali-activated metakaolin pastes, Cem. Concr. Res., 2021 145 106453

Gong K, Özçelik VO, Yang K, White CE, Density functional modeling and total scattering analysis of the atomic structure of a quaternary CaO-MgO-Al2O3-SiO2 (CMAS) glass: Uncovering the local environment of calcium and magnesium, Phys. Rev. Mater., 2021 5 (1) 015603

Yang K, White CE, Modeling of aqueous species interaction energies prior to nucleation in cement-based gel systems, Cem. Concr. Res., 2021 139 106266

van Deventer JSJ, White CE, Myers RM, A roadmap for production of cement and concrete with low-CO2 emissions, Waste Biomass Valori.2021 12 4745-4775

Yang K, White CE, Multiscale pore structure determination of cement paste via simulation and experiment: The case of alkali-activated metakaolin, Cem. Concr. Res., 2020 137 106212

Nigay P-M, Salifu AA, Obayemi JD, White CE, Nzihou A, Soboyejo WO, Assessment of ceramic water filters for the removal of bacterial, chemical, and viral contaminants, J. Environ. Eng., 2020 146 (7) 04020066

Wang SY, McCaslin, White CE, Effects of magnesium content and carbonation on the multiscale pore structure of alkali-activated slags, Cem. Concr. Res., 2020 130 105979

Dutta NS, Shao P, Gong K, White CE, Yao N, Arnold CB, Understanding solution processing of inorganic materials using cryo-EM, Opt. Mater. Express, 2020 10 (1) 119-128

White CE, Alkali-activated materials: The role of molecular-scale research and lessons from the energy transition to combat climate change, RILEM Tech. Lett., 2019 4 110-121
*Invited paper in recognition of the RILEM Gustavo Colonetti Medal

Garg N, Özçelik VO, Skibsted J, White CE, Nanoscale ordering and depolymerization of calcium silicate hydrates in presence of alkalis, J. Phys. Chem. C, 2019 123 (40) 24873-24883

Wild B, Daval D, Micha, J-S, Bourg IC, White CE, Fernandez-Martinez A, Physical properties of interfacial layers developed on weathered silicates: A case study based on labradorite feldspar, J. Phys. Chem. C, 2019 123 (40) 24520-24532

Nigay P-M, Salifu AA, Obayemi JD, White CE, Nzihou A, Soboyejo WO, Ceramic water filters for the removal of bacterial, chemical and viral contaminants, J. Environ. Eng., 2019 145 (10) 04019066

Özcelik VO, Garg N, White CE, Symmetry-induced stability in alkali-doped calcium silicate hydrate, J. Phys. Chem. C, 2019 123 (22) 14081-14088

Gong K, Cheng Y, Daemen LL, White CE, In situ quasi-elastic neutron scattering study on the water dynamics and reaction mechanisms in alkali-activated slags, Phys. Chem. Chem. Phys., 2019 21 (20) 10277-10292

Peys A, White CE, Rahier H, Blanpain B, Pontikes Y, Alkali-activation of CaO-FeOx-SiO2 slag: Formation mechanism from in-situ X-ray total scattering, Cem. Concr. Res2019 122 179-188

Ristroph K, Feng J, McManus S, Zhang Y, Gong K, Ramachandruni H, White CE, Prud’homme R, Spray drying OZ439 nanoparticles to form stable, water-dispersible powders for oral malaria therapy, J Transl. Med., 2019 17 97

Feng J, Zhang Y, McManus S, Qian R, Ristroph K, Ramachandruni H, Gong K, White CE, Rawal A, Prud’homme R, Amorphous nanoparticles by self-assembly: processing for controlled release of hydrophobic molecules, Soft Matter, 2019 15 2400-2410

Dutta R, White CE, Greenberg E, Prakapenka VB, Duffy TS, Equation of state of the α-PbO2 and -type phases of GeO2, to 120 GPa, Phys. Rev. B, 2018 98 144106

Nigay P-M, White CE, Nzihou A, Soboyejo WO, Removal mechanisms of contaminants in ceramic water filters, J. Environ. Eng., 2018 144 (12) 04018128

Nigay P-M, Nzihou A, White CE, Soboyejo WO, Accumulators for the capture of heavy metals in thermal conversion systems, J. Environ. Eng., 2018 144 (12) 04018118

Peys A, White CE, Olds DP, Rahier H, Blanpain B, Pontikes Y, Molecular structure of CaO-FeOx-SiO2 glassy slags and resultant inorganic polymer binders, J. Am. Ceram. Soc.2018 101 (12) 5846-5857

Feng J, Zhang Y, McManus S, Ristroph K, Lu H, Gong K, White CE, Prud’homme R, Rapid recovery of clofazimine-loaded nanoparticles with long-term storage stability as anti-cryptosporidium therapy, ACS Appl. Nano Mater., 2018 1 (5) 2184-2194

Yang K, Ozcelik VO, Garg N, Gong K, White CE, Drying-induced atomic structural rearrangements in sodium-based calcium-alumino-silicate-hydrate gel and the mitigating effects of ZrO2 nanoparticles, Phys. Chem. Chem. Phys., 2018 20 8593-8606

Gong K, White CE, Nanoscale chemical degradation mechanisms of sulfate attack in alkali-activated slag, J. Phys. Chem. C, 2018 122 (11) 5992-6004

Ozcelik VO, Gong K, White CE, Highly surface-active Ca(OH)2 as a CO2 capture materialNano Lett., 2018 18 (3) 1786-1793

Yang S, Qin Y, Chen B, Özçelik VO, White CE, Shen Y, Yang S, Tongay S, Novel surface molecular functionalization route to enhance environmental stability of tellurium containing 2D layers, ACS Appl. Mater. Interfaces, 2017 9 44625-44631

Yang S, Cai H, Chen B, Ko C, Özçelik VO, Ogletree DF, White CE, Shen Y, Tongay S, Environmental stability of 2D anisotropic tellurium containing nanomaterials: anisotropic to isotropic transition, Nanoscale2017 9 12288-12294

Nigay P-M, Nzihou A, White CE, Soboyejo WO, Structure and properties of clay ceramics for thermal energy storage, J. Am. Ceram. Soc., 2017 100 4748-4759

Blyth A*, Eiben CA, Scherer GW, White CE, Impact of activator chemistry on permeability of alkali-activated slags, J. Am. Ceram. Soc., 2017 100 4848-4859
*Undergraduate student

Garg N, White CE, Mechanism of zinc oxide retardation in alkali-activated materials: an in situ X-ray pair distribution function investigation, J. Mater. Chem. A, 2017 5 11794-11804

White CE, Olds DP, Hartl M, Hjelm RP, Page K, Evolution of the pore structure during the early stages of the alkali-activation reaction: an in situ small-angle neutron scattering investigationJ. Appl. Cryst., 2017 50 (1), 61-75

Ozcelik VO, White CE, Nanoscale charge-balancing mechanism in alkali-substituted calcium-silicate-hydrate gelsJ. Phys. Chem. Lett., 2016 7 (24), 5266-5272

Yang K, White CE, Modeling the formation of alkali aluminosilicate gels at the mesoscale using coarse-grained Monte CarloLangmuir, 2016 32 (44), 11580-11590

Gong K, White CE, Impact of chemical variability of ground granulated blast-furnace slag on the phase formation in alkali-activated slagCem. Concr. Res., 2016 89, 310-319

Stan CV, Dutta R, White CE, Prakapenka V, Duffy TS, High-pressure polymorphism of PbF2 to 75 GPaPhys. Rev. B, 2016 94, 024104

Natali ME, White CE, Bignozzi MC, Elucidating the atomic structures of different sources of fly ash using X-ray and neutron PDF analysisFuel, 2016 177, 148-156

White CE, Effects of temperature on the atomic structure of synthetic calcium-silicate-deuterate gels: A neutron pair distribution function investigationCem. Concr. Res., 2016 79, 93-100

Morandeau AE, Fitts JP, Lee HD, Shubeita SM, Feldman LC, Gustafsson T, White CE, Nanoscale heterogeneities in a fractured alkali-activated slag binder: A helium ion microscopy analysisCem. Concr. Res., 2016 79, 45-48

Morandeau AE, White CE, Role of magnesium-stabilized amorphous calcium carbonate in mitigating the extent of carbonation in alkali-activated slagChem. Mater., 2015 27 (19), 6625-6634

Morandeau AE, White CE, In situ X-ray pair distribution function analysis of accelerated carbonation of a synthetic calcium-silicate-hydrate gelJ. Mater. Chem. A, 2015 3 (16), 8597-8605

White CE, Daemen LL, Hartl M, Page K, Intrinsic differences in atomic ordering of calcium (alumino)silicate hydrates in conventional and alkali-activated cementsCem. Concr. Res., 2015 67, 66-73

White CE, Henson NJ, Daemen LL, Hartl M, Page K, Uncovering the True Atomic Structure of Disordered Materials: The Structure of a Hydrated Amorphous Magnesium Carbonate (MgCO3⋅3D2O), Chem. Mater., 2014 26 (8) 2693-2702

White CE, Kearley GJ, Provis JL, Riley DP, Inelastic neutron scattering analysis of the thermal decomposition of kaolinite to metakaolinChem. Phys., 2013 427 82-86

White CE, Kearley GJ, Provis JL, Riley DP, Structure of kaolinite and influence of stacking faults: Reconciling theory and experiment using inelastic neutron scattering analysisJ. Chem. Phys., 2013 138 (19) 194501

White CE, Page K, Henson NJ, Provis JL, In situ X-ray pair distribution function analysis of geopolymer gel nanostructure formation kineticsPhys. Chem. Chem. Phys., 2013 15 (22) 8573-8582

White CE, Page K, Henson NJ, Provis JL, In situ synchrotron X-ray pair distribution function analysis of the early stages of gel formation in metakaolin-based geopolymersAppl. Clay Sci., 2013 73 (SI) 17-25

Provis JL, Hajimohammadi A, White CE, Bernal SA, Myers RJ, Winarski RP, Rose V, Proffen T, Llobet A, van Deventer JSJ,Nanostructural characterization of geopolymers by advanced beamline techniquesCem. Concr. Compos., 2013 36 (1) 56-64

White CE, Pair distribution function analysis of amorphous geopolymer precursors and binders: the importance of complementary simulations, Zeitschrift für Kristallographie2012 227 (5) 304-312

Provis JL, Myers RJ, White CE, Rose V, van Deventer JSJ, X-ray microtomography shows pore structure and tortuosity in alkali-activated binders, Cem. Concr. Res., 2012 42 (6) 855-864

White CE, Provis JL, Proffen T, van Deventer JSJ, Molecular mechanisms responsible for the structural changes occurring during geopolymerization: Multiscale simulation, AIChE J, 2012 58 (7) 2241-2253

White CE, Provis JL, Kearley GJ, Riley DP, van Deventer JSJ, Density functional modelling of silicate and aluminosilicate dimerisation solution chemistry Dalton Trans.2011 40 (6) 1348-1355

White CE, Provis JL, Proffen T, van Deventer JSJ, Quantitative mechanistic modeling of silica solubility and precipitation during the initial stages of zeolite synthesisJ Phys. Chem. C, 2011 115 (20) 9879-9888

White CE, Provis JL, Llobet A, Proffen T, van Deventer JSJ, Evolution of local structure in geopolymer gels: an in situ neutron pair distribution function analysis, J Am. Ceram. Soc., 2011 94 (10) 3532-3539

White CE, Provis JL, Proffen T, Riley DP, van Deventer JSJ, Combining density functional theory (DFT) and pair distribution function (PDF) analysis to solve the structure of metastable materials: The case of metakaolin.Phys. Chem. Chem. Phys.2010, 12 (13) 3239-3245

White CE, Provis JL, Proffen T, Riley DP, van Deventer JSJ, Density functional modeling of the local structure of kaolinite subjected to thermal dehydroxylationJ. Phys. Chem. A2010, 114 (14) 4988-4996