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Reynolds, J. G.; Nienhuis, E. T.; Mergelsberg, S. T.; Pearce, C. I.; Rosso, K. M. The Apparent Reversal of the Law of Mass Action in Concentrated Multicomponent Aqueous Solutions. J Mol Liq . 2023. 377, 121470. DOI: 10.1016/j.molliq.2023.121470 Although it is well known that aqueous electrolyte...

Buttreddy, P.; J. Heo; T. Liu; L. Liu; W.T. Smith; X. Zhang; M. P. Prange; B. A. Legg; G. K. Schenter; J. J. De Yoreo; J. Chun; A. G. Stack; E. Nakouzi. Ion correlations decrease particle aggregation rate by altering interfacial solution structure to enhance hydration forces. ACS Nano . 2024. 18(38)...

Ho, T. A.; Rosso, K. M.; Criscenti, L. J. Atomistic Mismatch Defines Energy−Structure Relationships during Oriented Attachment of Nanoparticles. J. Phys. Chem. Lett. 2022 . 13, 9339-9347. DOI: 10.1021/acs.jpclett.2c02511 Oriented attachment is an important crystal growth pathway in nature and has...

Lambros, E., B. Link, M. Chow, F. Lipparini, S. Hammes-Schiffer, X. Li. Assessing Implicit and Explicit Polarizable Solvation Models for Nuclear–Electronic Orbital Systems: Quantum Proton Polarization and Solvation Energetics. J. Phys. Chem. A . 2023. 127(44) 9322-9333. DOI: 10.1021/acs.jpca.3c03153...

Nakouzi, E.; S. Kerisit; B. A. Legg; S. Yadav; D. Li; A. G. Stack; C. J. Mundy; J. Chun; G. K. Schenter; J. J. De Yoreo. Solution Structure and Hydration Forces between Mica and Hydrophilic Versus Hydrophobic Surfaces. J. Phys. Chem C . 2023. 127 (5) 2741-2752. DOI: 10.1021/acs.jpcc.2c09120 Solid...

Kundu, S.; Hu, H.; Li, X.; Schaible, M. J.; Orlando, T. M. Electron Scattering with Ethane Adsorbed on Rare Gas Multilayers: Hole Transfer, Coulomb Decay and Ion Dissociation. J. Chem. Phys . 2023. 158(12), 124309. DOI: 10.1063/5.0099594 Positive ion desorption following electron impact dissociative...

Lambros, E., J. H. Fetherolf, S. Hammes-Schiffer, X. Li. A Many-Body Perspective of Nuclear Quantum Effects in Aqueous Clusters. J. Phys. Chem . Lett. 2024, 15, 4070-4075. DOI: 10.1021/acs.pclett.4c00439 Nuclear quantum effects play an important role in the structure and thermodynamics of aqueous...

Lambros, E.; B. Link; M. Chow; S. Hammes-Schiffer; X. Li. Solvent Induced Proton Polarization within the Nuclear-Electronic Orbital Framework. J. Phys. Chem. Lett. 2023. 14(12), 2990-2995. DOI: 10.1021/acs.jpclett.3c00471 To explicitly account for nuclear quantum effects and solvent environments in...

Graham, T. R.; Hu, J. Z.; Jaegers, N. R.; Zhang, Xin; Pearce, C. I.; Rosso, K. M. An amorphous sodium aluminate hydrate phase mediates coordination change in highly alkaline sodium hydroxide solutions. Inorg. Chem. Front . 2022. 9(24), 6344-6357. DOI: 10.1039/D2QI01642G Aluminum (Al) transformations...

Li, S.; Lu, L.; Bhattacharyya, S.; Pearce, C. I.; Li, K.; Nienhuis,E.; Doumy, G.; Schaller, R. D.; Moeller, S.; Lin, M.-F.; Dakovski, G.; Hoffman, D.J.; Garratt, D.; Larsen, K.; Koralek, J. D.; Hampton, C. Y.; Cesar, D.; Duris, J.; Zhang, Z.; Sudar, N.; Cryan, J. P.; Marinelli, A.; Li, X.; Inhester...

Nienhuis, E. T.; T. R. Graham; N. L. D'Annunzio; M. I. Kowalska; J. A. LaVerne; T. M. Orlando; J. G. Reynolds; D. M. Camaioni; K. M. Rosso; C. I. Pearce; E. D. Walter. Cations impact radical reaction dynamics in concentrated multicomponent aqueous solutions. J. Chem. Phys. 2023. 158(22): 224503. DOI...

Wei, Y.; E. T. Nienhuis; S. T. Mergelsberg; T. R. Graham; Q. Guo, G. K. Schenter; C. I. Pearce; A.E. Clark. Cation Coordination Polyhedra Lead to Multiple Lengthscale Organization in Aqueous Electrolytes. Chem. Commun . 2023. 59 (69), 10400-10403. DOI: 10.1039/D3CC02416D Understanding multiple...

Liu, Wei; Pouvreau, Maxime; Stack, Andrew; Yang, Xiaoning; Clark, Aurora E. Concentration Dependent Interfacial Chemistry of the NaOH(aq): Gibbsite Interface. PCCP . 2022. 24(35), 20988-21008. DOI: 10.1039/D2CP01997C Caustic conditions are often employed for dissolution of a wide variety of minerals...

Lee, J., E. Nakouzi, J. Heo, B. A. Legg, G. K. Schenter, D. Li, C. Park, H. Ma, J. Chun. Effects of particle shape and surface roughness on van der Waals interactions and coupling to dynamics in nanocrystals. J. Colloid Interface Sci . 2023. 652,1974-1983. DOI: 10.1016/j.jcis.2023.08.160 The van der...