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Creators/Authors contains: "Zhang, Shuai"

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  1. Free, publicly-accessible full text available January 1, 2026
  2. Abstract Terrestrial hydrological and nutrient cycles are subjected to major disturbances by agricultural operations and urbanization that profoundly influence freshwater resources. Non‐point source pollution is one of the primary causes for water quality deterioration, and thus an emerging imperative in limnology is establishing empirical models that connect watershed attributes and hydrological drivers with lake nutrient dynamics. Here, we compiled three nation‐wide nutrient, meteorological, and watershed‐landscape data sets, to develop Generalized Linear Models that predict lake phosphorus and nitrogen concentrations as a function of the surrounding watershed characteristics within various hydrological distances across 104 Chinese lakes and reservoirs. Our national‐scale investigation revealed that lake nutrient concentrations can be satisfactorily predicted by proxies of natural drivers and anthropogenic activities, reflecting the properties of the surrounding watershed. Counter to previous studies, we found that China's lake nutrient concentrations strongly depend on watershed characteristics within a hydrological distance of less than 45 km rather than the entire watershed. Furthermore, extensive human activities in watersheds not only compromise our predictive capacity, but also increase the hydrological distance that is relevant to predict lake nutrients. This national‐scale characterization can inform one of the most contentious issues in the context of China's lake management, that is, the determination of the extent of the nearshore area, where nutrient control should be prioritized. As far as we know, our study represents the first attempt to apply the concept of hydrological distance and establish statistical models that can delineate the critical spatial domain primarily responsible for the nutrient conditions along the watershed‐lake continuum. 
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  3. Abstract Kagome vanadatesAV3Sb5display unusual low-temperature electronic properties including charge density waves (CDW), whose microscopic origin remains unsettled. Recently, CDW order has been discovered in a new material ScV6Sn6, providing an opportunity to explore whether the onset of CDW leads to unusual electronic properties. Here, we study this question using angle-resolved photoemission spectroscopy (ARPES) and scanning tunneling microscopy (STM). The ARPES measurements show minimal changes to the electronic structure after the onset of CDW. However, STM quasiparticle interference (QPI) measurements show strong dispersing features related to the CDW ordering vectors. A plausible explanation is the presence of a strong momentum-dependent scattering potential peaked at the CDW wavevector, associated with the existence of competing CDW instabilities. Our STM results further indicate that the bands most affected by the CDW are near vHS, analogous to the case ofAV3Sb5despite very different CDW wavevectors. 
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    Free, publicly-accessible full text available December 1, 2025
  4. In this work, we introduce the concept of a tunable noninteracting free-energy density functional and present two examples realized: (i) via a simple one-parameter convex combination of two existing functionals and (ii) via the construction of a generalized gradient approximation (GGA) enhancement factor that contains one free parameter and is designed to satisfy a set of incorporated constraints. Functional (i), constructed as a combination of the local Thomas–Fermi and a pseudopotential-adapted GGA for the noninteracting free-energy, has already demonstrated its practical usability for establishing the high temperature end of the equation of state of deuterium [Phys. Rev. B 104, 144104 (2021)] and CHON resin [Phys. Rev. E 106, 045207 (2022)] for inertial confinement fusion applications. Hugoniot calculations for liquid deuterium are given as another example of how the application of computationally efficient orbital-free density functional theory (OF-DFT) can be utilized with the employment of the developed functionals. Once the functionals have been tuned such that the OF-DFT Hugoniot calculation matches the Kohn–Sham solution at some low-temperature point, agreement with the reference Kohn–Sham results for the rest of the high temperature Hugoniot path is very good with relative errors for compression and pressure on the order of 2% or less. 
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  5. Ultraclean graphene at charge neutrality hosts a quantum critical Dirac fluid of interacting electrons and holes. Interactions profoundly affect the charge dynamics of graphene, which is encoded in the properties of its electron-photon collective modes: surface plasmon polaritons (SPPs). Here, we show that polaritonic interference patterns are particularly well suited to unveil the interactions in Dirac fluids by tracking polaritonic interference in time at temporal scales commensurate with the electronic scattering. Spacetime SPP interference patterns recorded in terahertz (THz) frequency range provided unobstructed readouts of the group velocity and lifetime of polariton that can be directly mapped onto the electronic spectral weight and the relaxation rate. Our data uncovered prominent departures of the electron dynamics from the predictions of the conventional Fermi-liquid theory. The deviations are particularly strong when the densities of electrons and holes are approximately equal. The proposed spacetime imaging methodology can be broadly applied to probe the electrodynamics of quantum materials. 
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  6. In recent years, nanocellulose has emerged as a sustainable and environmentally friendly alternative to traditional petroleum-derived structural polymers. Sourced either from plants, algae, or bacteria, nanocellulose can be processed into colloid, gel, film and fiber forms. However, the required fundamental understanding of process parameters that govern the morphology and structure–property relationships of nanocellulose systems, from colloidal suspensions to bulk materials, has not been developed and generalized for all forms of cellulose. This further hinders the more widespread adoption of this biopolymer in applications. Our study investigates the dispersion of cellulose nanofibers (CNFs) produced by a bacterial–yeast co-culture, in solvents, highlighting the role of thermodynamic interactions in influencing their colloidal behavior. By adjusting Hansen solubility parameters, we controlled the thermodynamic relationship between CNFs and solvents across various concentrations, studying the dilute to semi-dilute regimes. Rheological measurements revealed that the threshold at which a concentration-based regime transition occurs is distinctly solvent-dependent. Complementing rheological analysis with small angle X-ray scattering and zeta potential measurements, our findings reveal that enhancing CNF–solvent interactions increases excluded volume in the dilute regime, emphasizing the importance of the balance between fiber–fiber and fiber–solvent interactions. Moreover, we investigated the transition from colloidal to solid state by creating films from dispersions with varying interaction parameters in semi-dilute regimes. Through mechanical testing and scanning electron microscopy imaging of the fracture surfaces, we highlight the significance of electrokinetic effects in such transitions, as dispersions with higher electrokinetic stabilization gave rise to stronger and tougher films despite having less favorable thermodynamic interaction parameters. Our work provides insights into the thermodynamic and electrokinetic interplay that governs bacterial CNF dispersion, offering a foundation for future application and a deeper understanding of nanocellulose's colloidal and structure-property relationships. 
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  7. Thin metal particles with two-dimensional symmetry are attractive for multiple ap- plications, but are difficult to synthesize in a reproducible manner. Although molecules that selectively adsorb to facets have been used to control nanoparticle shape, there is still limited research into the temporal control of growth processes to control these structural outcomes. Moreover, much of the current research into the growth of thin two-dimensional particles lacks mechanistic details. In this work, we study why the substitution of isoleucine for methionine in a gold binding peptide (Z2, RMRMKMK) results in an increase in gold nanoparticle anisotropy. Nanoplatelet growth in the pres- ence of Z2M246I (RIRIKIK) is characterized using in situ small-angle X-ray scattering (SAXS) and UV-Vis spectroscopy. Fitting time-resolved SAXS profiles reveals that 10 nm thick particles with two-dimensional symmetry are formed within the first few min- utes of the reaction. Next, through a combination of electron diffraction and molecular dynamics simulations, we show that substitution of methionine for isoluecine increases the (111) facet selectivity in Z2M246I, and conclude that this is key to the growth of nanoplatelets. However, the potential application of nanoplatelets formed using Z2M246I is limited due to their uncontrolled lateral growth, aggregation, and rapid sedimentation. Therefore, we use a liquid handling robot to perform temporally con- trolled synthesis and dynamic intervention through the addition of Z2 to nanoplatelets growing in the presence of Z2M246I at different times. UV-Vis spectroscopy dynamic light scattering, and electron microscopy show that dynamic intervention results in control over the mean-size and stability of plate-like particles. Finally, we use in situ UV-Vis spectroscopy to study plate-like particle growth at different times of interven- tion. Our results demonstrate that both the selectivity and magnitude of binding free energy towards lattices is important for controlling nanoparticle growth pathways. 
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