Chen, Q.; X. Zhang. Nanoparticle Self-Assemblies with Modern Complexity. MRS Bulletin , 2024, 49, 310-318. DOI: 10.1557/s43577-024-00700-1 Thanks to decades of tireless efforts, nanoparticle assemblies have reached an extremely high level of controllability, sophistication, and complexity, with new...

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...

Liu, T.; Nikhil, R.; Nakouzi, E.; Legg, B. A.; Chun, J.; Liu, L.; Schenter, G. K.; De Yoreo, J. J.; Anovitz, L. M.; Stack, A. G. Molecular Mechanisms of Sorbed ion Effects During Boehmite Particle Aggregation. Langmuir . 2024, 40(17), 8791-8805. DOI: 10.1021/acs.langmuir.3c03532 Classical theories...

Liu, A; Chow M.; Wildman, A.; Frisch, M. J.; Hammes-Schiffer, S.; Li, X. Simultaneous Optimization of Nuclear-Electronic Orbitals. J. Phys. Chem . A. 2022. 126(39), 7033-7039. DOI: 10.1021/acs.jpca.2c05172 Accurate modeling of important nuclear quantum effects, such as nuclear delocalization, zero...

Smith, W.; Pouvreau, M.; Rosso, K.; Clark, A.E. pH Dependent Reactivity of Boehmite Surfaces from First-Principles Molecular Dynamics. Phys. Chem. Chem. Phys . 2022. 24(23), 14177-14186. DOI: 10.1039/D2CP00534D pH dependent interfacial chemistry depends upon the distribution and respective pKa...

Zhao, Y.; P. Chen; X. Wang; H. Hlushko; J. A. LaVerne; L. Liu; C. I. Pearce; Z. Wang; K. M. Rosso; X. Zhang. Effect of 60CO Irradiation on Boehmite Dissolution in Caustic Solutions. Environ. Sci. Tech . 2024. 58(49), 21760-21769. DOI: 10.1021/acs.est.4c07544 Here, we examine how radiation impacts...

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...

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...

Zhao, Y.; Q. Guo; S. Xue; P. Chen; Q. Zhao; L. Liu; H. Hlushko; J. LaVerne; C. Pearce; A. Miao; Z. Wang; K. M. Rosso; X. Zhang. Effect of Adsorbed Carboxylates on the Dissolution of Boehmite Nanoplates in Highly Alkaline Solutions. ES&T . 2024. 58(4): 2017-2026. DOI: 10.1021/acs.est.3c06595...

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...

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...

Riechers, S. L.; X. Zhang; J. A. LaVerne, K. M. Rosso. Direct Measurement of Mineral Dissolution Enhanced by X-ray Irradiation. J Phys. Chem . C. 2023. 127 (36), 17694-17699. DOI: 10.1021acs.jpcc.3c02817 Developing a predictive understanding of mineral-phase stability in extreme chemical conditions...

Zhao, Y.; M. Prange; M. Zong; Y. Wang; E. Walter; Y. Chen; Z. Zhu; M. H. Engelhard; X. Wang; X. Zhao; C. I. Pearce; A. Miao; Z. Wang; K. M. Rosso; X. Zhang. Understanding Trace Iron and Chromium Incorporation During Gibbsite Crystallization and Effects on Mineral Dissolution. Environ. Sci. Tech...

Liu, L.; B. A. Legg, W. Smith, L. M. Anovitz, X. Zhang, R. Harper, C. I. Pearce, K. M. Rosso, A. G. Stack, M. Bleuel, D. F. R. Mildner, G. K. Schenter, A. E. Clark, J. J. De Yoreo, J. Chun, E. Nakouzi. Predicting Outcomes of Nanoparticle Attachment by Connecting Atomistic, Interfacial, Particle, and...

Wang, H.-W.; E. T. Nienhuis; T. R. Graham; M. Pouvreau; J. G. Reynolds; M. Bowden; G. K. Schenter; J. J. De Yoreo; K. M. Rosso; C. I. Pearce. Resolving intermediates during the growth of aluminum deuteroxide (Hydroxide) polymorphs in high chemical potential solutions. Comm. Chem . 2024. 7, 199. DOI...