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Roos, Diana P.; Scheinost, Andreas C.; Churakov, Sergey V.; Nagashima, Mariko; Cametti, Georgia (2021). On the nature of Pb species in Pb-exchanged zeolite stellerite (STI): A combined experimental and theoretical study. Microporous and mesoporous materials, 327, p. 111444. Elsevier 10.1016/j.micromeso.2021.111444
Krattiger, Nicolas; Lothenbach, Barbara; Churakov, Sergey V. (2021). Sorption and electrokinetic properties of ASR product and C-S-H: A comparative modelling study. Cement and concrete research, 146, p. 106491. Elsevier 10.1016/j.cemconres.2021.106491
Di Lorenzo, Fulvio; Steiner, Kay; Churakov, Sergey V. (2021). The Effect of pH, Ionic Strength and the Presence of PbII on the Formation of Calcium Carbonate from Homogenous Alkaline Solutions at Room Temperature. Minerals, 11(7), p. 783. MDPI 10.3390/min11070783
Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V. (2021). Cd2+ incorporation in small-pore LEV/ERI intergrown zeolites: a multi-methodological study. Microporous and mesoporous materials, 313, p. 110835. Elsevier 10.1016/j.micromeso.2020.110835
Marsiske, Maximilian R.; Debus, Christian; Di Lorenzo, Fulvio; Bernard, Ellina; Churakov, Sergey V.; Ruiz-Agudo, Cristina (2021). Immobilization of (aqueous) cations in low pH M-S-H cement. Applied Sciences, 11(7), pp. 1-18. MDPI 10.3390/app11072968
Di Lorenzo, Fulvio; Arnold, Tobias; Churakov, Sergey V. (2021). Pb2+ uptake by magnesite: The competition between thermodynamic driving force and reaction kinetics. Minerals, 11(4), pp. 1-18. MDPI 10.3390/min11040415
Luraschi, Pietro; Gimmi, Thomas; Van Loon, Luc R.; Shafizadeh, Amir; Churakov, Sergey V. (2020). Evolution of HTO and 36Cl− diffusion through a reacting cement-clay interface (OPC paste-Na montmorillonite) over a time of six years. Applied geochemistry, 119, p. 104581. Elsevier 10.1016/j.apgeochem.2020.104581
Cametti, Georgia; Churakov, Sergey V. (2020). Crystal structure of Ag-exchanged levyne intergrown with erionite: single crystal X-ray diffraction and molecular dynamic simulations. American mineralogist, 105(11), pp. 1631-1638. Mineralogical Society of America 10.2138/am-2020-7500
Di Lorenzo, Fulvio; Cametti, Georgia; Vanhecke, Dimitri; Churakov, Sergey V. (2020). The Role of Interfaces in Controlling Pb 2+ Removal by Calcium Carbonate Minerals. Crystal growth & design, 20(9), pp. 6157-6169. American Chemical Society 10.1021/acs.cgd.0c00906
Gimmi, Thomas; Churakov, Sergey V. (2019). Water retention and diffusion in unsaturated clays: Connecting atomistic and pore scale simulations. Applied Clay Science, 175, pp. 169-183. Elsevier 10.1016/j.clay.2019.03.035
Giordani, Matteo; Cametti, Georgia; Di Lorenzo, Fulvio; Churakov, Sergey V. (2019). Real-time observation of fibrous zeolites reactivity in contact with simulated lung fluids (SLFs) obtained by Atomic Force Microscope (AFM). Minerals, 9(2), p. 83. MDPI 10.3390/min9020083
Yang, Yuankai; Patel, Ravi A.; Churakov, Sergey V.; Prasianakis, Nikolaus I.; Kosakowski, Georg; Wang, Moran (2019). Multiscale modeling of ion diffusion in cement paste: electrical double layer effects. Cement & concrete composites, 96, pp. 55-65. Elsevier 10.1016/j.cemconcomp.2018.11.008
Di Lorenzo, Fulvio; Ruiz-Agudo, Cristina; Churakov, Sergey V. (2019). The key effects of polymorphism during Pb II uptake by calcite and aragonite. CrystEngComm, 21(41), pp. 6145-6155. Royal Society of Chemistry 10.1039/C9CE01040H
Cametti, Georgia; Scheinost, Andreas C.; Giordani, Matteo; Churakov, Sergey V. (2019). Framework Modifications and Dehydration Path of a Ag+-Modified Zeolite with STI Framework Type. Journal of physical chemistry. C, 123(22), pp. 13651-13663. American Chemical Society 10.1021/acs.jpcc.9b01976
Churakov, Sergey V.; Labbez, Christophe; Pegado, Luis; Sulpizi, Marialore (2014). Intrinsic Acidity of Surface Sites in Calcium Silicate Hydrates and Its Implication to Their Electrokinetic Properties. Journal of physical chemistry. C, 118(22), pp. 11752-11762. American Chemical Society 10.1021/jp502514a
Kulasinski, Karol; Keten, Sinan; Churakov, Sergey V.; Guyer, Robert; Carmeliet, Jan; Derome, Dominique (2014). Molecular Mechanism of Moisture-Induced Transition in Amorphous Cellulose. ACS Macro Letters, 3(10), pp. 1037-1040. American Chemical Society 10.1021/mz500528m
Pegado, Luís; Labbez, Christophe; Churakov, Sergey V. (2014). Mechanism of aluminium incorporation into C–S–H from ab initio calculations. Journal of materials chemistry. A, 2(10), p. 3477. Royal Society of Chemistry 10.1039/C3TA14597B
Kulasinski, Karol; Keten, Sinan; Churakov, Sergey V.; Derome, Dominique; Carmeliet, Jan (2014). A comparative molecular dynamics study of crystalline, paracrystalline and amorphous states of cellulose. Cellulose, 21(3), pp. 1103-1116. Springer Netherlands 10.1007/s10570-014-0213-7
Bhatt, Jayesh S.; McDonald, Peter J.; Faux, David A.; Howlett, Nicholas C.; Churakov, Sergey V. (2014). NMR relaxation parameters from molecular simulations of hydrated inorganic nanopores. International Journal of Quantum Chemistry, 114(18), pp. 1220-1228. Wiley 10.1002/qua.24708
Churakov, Sergey V. (2013). Mobility of Na and Cs on Montmorillonite Surface under Partially Saturated Conditions. Environmental science & technology, 47(17), pp. 9816-9823. ACS Publications 10.1021/es401530n
Kosakowski, Georg; Churakov, Sergey V.; Thoenen, Tres (2008). Diffusion of Na and Cs in montmorillonite. Clays and clay minerals, 56(2), pp. 190-206. Clay Minerals Society 10.1346/CCMN.2008.0560205
Churakov, Sergey V.; Mandaliev, Peter (2008). Structure of the hydrogen bonds and silica defects in the tetrahedral double chain of xonotlite. Cement and concrete research, 38(3), pp. 300-311. Elsevier 10.1016/j.cemconres.2007.09.014
Churakov, Sergey V. (2008). Hydrogen bond connectivity in jennite from ab initio simulations. Cement and concrete research, 38(12), pp. 1359-1364. Elsevier 10.1016/j.cemconres.2008.08.004
