Aqueous zinc-ion batteries (AZIBs) have attracted attention for their low cost and environmental friendliness. Unfortunately, commercialization has been hampered by several problems with dendrite growth and side reactions. Herein, we select sodium tartrate (TA-Na) as a dual-functional electrolyte additive to enhance the reversibility of AZIBs. The tartrate anions are preferentially adsorbed on the Zn surface, and then the highly nucleophilic carboxylate will coordinate with Zn2+ to promote the desolvation of [Zn(H2O)6]2+, leading to uniform Zn deposition on the beneficial (002) plane and inhibiting side reactions and dendrite growth. Consequently, the Zn|Zn cells show a long-term cycling stability of over 1500 cycles at 0.5 mA cm–2. Moreover, the Ta-Na additive improves the performance of Zn||MnO2 full cells, evidenced by a cycling life of 1000 cycles at 1 A g–1 under practical conditions with a limited Zn anode (negative/positive capacity ratio of 10/1) and controlled electrolyte (electrolyte/capacity ratio of 20 μL mAh–1).

The biotransport of the intravascular nanoparticle (NP) is influenced by both the complex cellular flow environment and the NP characteristics. Being able to computationally simulate such intricate transport phenomenon with high efficiency is of far-reaching significance to the development of nanotherapeutics, yet challenging due to large length-scale discrepancies between NP and red blood cell (RBC) as well as the complexity of NP dynamics. Recently, a lattice-Boltzmann (LB) based multiscale simulation method has been developed to capture both NP scale and cellular level transport phenomenon at high computational efficiency. The basic components of this method include the LB treatment for the fluid phase, a spectrin-link method for RBCs, and a Langevin dynamics (LD) approach to capturing the motion of the suspended NPs. Comprehensive two-way coupling schemes are established to capture accurate interactions between each component.The accuracy and robustness of the LB-LD coupling method are demonstrated through the relaxation of a single NP with initial momentum and self-diffusion of NPs. This approach is then applied to study the migration of NPs in a micro-vessel under physiological conditions. It is shown that Brownian motion is most significant for the NP distribution in 20 vessels. For 1~100 particles, the Brownian diffusion is the dominant radial diffusive 2 mechanism compared to the RBC-enhanced diffusion. For ~500 particles, the Brownian diffusion and RBC-enhanced diffusion are comparable drivers for the particle radial diffusion process.

Rechargeable aqueous zinc-ion batteries are considered as ideal candidates for large-scale energy storage due to their high safety, eco-friendliness, and low cost. However, Zn anode invites dendrite growth and parasitic reactions at anode-electrolyte interface, impeding the practical realization of the battery. In this study, the electrochemical performance of the Zn-metal anode is proposed to improve by using a 3D ZnTe semiconductor substrate. The substrate features high zincophilicity, high electronic conductivity and electron affinity, and a low Zn nucleation energy barrier to promote dendrite-proof Zn deposition along the (002) crystal plane, while it also maintains high chemical stability against parasitic metal corrosion and hydrogen evolution reactions at surface, and a stable skeleton structure against the volume variation of anode. A Zn-metal anode based on the telluride substrate shows a long cycle life of over 3300 h with a small voltage hysteresis of 48 and 320 mV at 1 and 30 mA cm −2 , respectively. A zinc telluride@Zn//MnO 2 full cell can operate for over 500 cycles under practical conditions in terms of lean electrolyte (18 µL mAh −1 ) and limited Zn metal ( negative/positive capacity ratio of 3:1, and a high mass loading of the cathode.

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Summary A hybrid computational method coupling the lattice‐Boltzmann (LB) method and a Langevin‐dynamics (LD) method is developed to simulate nanoscale particle and polymer (NPP) suspensions in the presence of both thermal fluctuation and long‐range many‐body hydrodynamic interactions (HIs). Brownian motion of the NPP is explicitly captured by a stochastic forcing term in the LD method. The LD method is two‐way coupled to the nonfluctuating LB fluid through a discrete LB forcing source distribution to capture the long‐range HI. To ensure intrinsically linear scalability with respect to the number of particles, a Eulerian‐host algorithm for short‐distance particle neighbor search and interaction is developed and embedded to LB‐LD framework. The validity and accuracy of the LB‐LD approach are demonstrated through several sample problems. The simulation results show good agreements with theory and experiment. The LB‐LD approach can be favorably incorporated into complex multiscale computational frameworks for efficiently simulating multiscale multicomponent particulate suspension systems such as complex blood suspensions.

Aqueous zinc ion batteries (AZIBs) with high safety, low cost, and eco‐friendliness advantages show great potential in large‐scale energy storage systems. However, their practical application is hindered by low Columbic efficiency and unstable zinc anode resulting from the side reactions and deterioration of zinc dendrites. Herein, tripropylene glycol (TG) is chosen as a dual‐functional organic electrolyte additive to improve the reversibility of AZIBs significantly. Importantly, ab initio molecular dynamics theoretical simulations and experiments such as in situ electrochemical impedance spectroscopy, and synchrotron radiation‐based in situ Fourier transform infrared spectroscopy confirm that TG participates in the solvation sheath of Zn2+, regulating overpotential and inhibiting side reactions; meanwhile, TG inhibits the deterioration of dendrites and modifies the direction of zinc deposition by constructing an adsorbed layer on the zinc anode. Consequently, a Zn‐MnO2 full cell with TG electrolyte exhibited a specific capacity of 124.48 mAh g‐1 after 1000 cycles at a current density of 4 A g‐1. This quantitative regulation for suitable solvation sheath and adsorbed layer on zinc anode, and its easy scalability of the process can be of immediate benefit for the dendrite‐free, high‐performance, and low‐cost energy storage systems.

Using a multiscale blood flow solver, the complete diffusion tensor of nanoparticle (NP) in sheared cellular blood flow is calculated over a wide range of shear rate and haematocrit. In the short-time regime, NPs exhibit anomalous dispersive behaviors under high shear and high haematocrit due to the transient elongation and alignment of the red blood cells (RBCs). In the long-time regime, the NP diffusion tensor features high anisotropy.Particularly, there exists a critical shear rate (∼100 s −1 ) around which the shear-rate dependence of the diffusivity tensor changes from linear to nonlinear scale. Above the critical shear rate, the cross-stream diffusivity terms vary sublinearly with shear rate, while the longitudinal term varies superlinearly. The dependence on haematocrit is linear in general except at high shear rates, where a sublinear scale is found for the vorticity term and a quadratic scale for the longitudinal term. Through analysis of the suspension microstructure and numerical experiments, the nonlinear hemorheological dependence of the NP diffusion tensor is attributed to the streamwise elongation and cross-stream contraction of RBCs under high shear, quantified by a Capillary number. The RBC size is shown to be the characteristic length scale affecting the RBC-enhanced shear-induced diffusion (RESID), while the NP size at submicron exhibits negligible influence on the RESID. Based on the observed scaling behaviors, empirical correlations are proposed to bridge the NP diffusion tensor to specific shear rate and haematocrit. The characterized NP diffusion tensor provides a constitutive relation that can lead to more effective continuum models to tackle large-scale NP biotransport applications.

Platelet accumulation under high shear rates at the site of atherosclerotic plaque rupture leads to myocardial infarction and stroke. Current antiplatelet therapies remain ineffective within a large percentage of the population, while presenting significant risks for bleeding. We explore a novel way to inhibit arterial thrombus formation by biophysical means without the use of platelet inactivating drugs. Our computational multi-scale dynamics model has predicted that charged particles of a specific size may entangle von Willebrand Factor (vWF) polymers and reduce the amount of elongation at high shear rates. We tested this hypothesis experimentally for negatively charged nanoparticles (CNP) to inhibit arterial thrombus formation. CNP of a particular size and charge inhibited thrombus formation, with a 10-fold peak inhibition over control conditions of thrombotic occlusion. Particles of differing material composition, size, and charge had little effect as predicted by computational studies. Surprisingly, the dose response curve was not sigmoidal, but exhibited a peak at 1.5 CNP:vWF proteins, which was not predicted by the model. This study describes a new antithrombotic agent that may have a different mechanism of action than current pharmaceutical therapies.