Data_Sheet_1_How does housing tenure mix affect residents' mental health through a social environment lens? An empirical examination from Guangzhou (China).pdf

This study demonstrates the mechanisms of housing tenure mix affecting residents' mental health via intervening community social environment within public housing practices in urban China. Using a purposive sampling data of six representative public housing estates, we used structural equation models to examine total, direct, and indirect effects of housing mix status on mental health, highlighting the intermediatory roles of social environment variables. On the whole, we find no significant impact of housing tenure mix on mental health; however, housing tenure mix thwarted mental health in a direct way but contributed to it through the mediation of social participation. Regarding the neighborhood effects, we unfold the behavioral, psychological, and socially interactional mechanisms for affecting mental health, by highlighting the direct health implications of social capital, and the mediation of sense of community and social control between social capital and mental health. Finally, we suggest to consider social effects on health grounds into mixed housing strategies in future.</p

Smart Conducting PANI/P(St-NIPAM) Particles and Their Switchable Conductivity

Particles with circumstance-responsive conductivity have an appealing performance in constructing sensors. Here, “smart” conducting polyaniline-doped poly­(styrene-co-N-isopropylacrylamide) composite spheres, i.e. PANI/P­(St-NIPAM) particles, are reported. A series of PANI/P­(St-NIPAM) particles can be prepared with different ratios of N-isopropylacrylamide to monomers, i.e. N/M ratios. With the improved N/M ratios in polymerization, the amount of polyaniline (PANI) incorporating into the produced particles increased, resulting in an enhanced conductivity. With the improved N/M ratios, the hydrodynamic diameters of PANI/P­(St-NIPAM) particles increased at a low temperature, whereas they decreased at a high temperature; resulting in the enhanced volume-change ability with the increasing poly­(N-isopropylacrylamide) (PNIPAM) content in particles. Depending on the temperature-induced volume change, these particles exhibit “smart” conductivity in a homemade device, in which these particles can be used as a temperature-responsive conducting medium to construct an “on–off” circuit, and the switch of an LED lamp can be triggered by temperature. These particles with the smart conducting property provide wide potential applications in sensors, microelectronics, energy storage, and other fields

A Novel Na₄MnCr(PO₄)₂F₃ Cathode with High Energy Density for Sodium-Ion Batteries

Na3V2(PO4)2F3 (NVPF) is a representative cathode material of sodium-ion batteries (SIBs) due to its high working voltage and high structural stability. However, its specific capacity is limited to the reversible inserting and extracting of two sodium ions per formula unit, which hampers the improvement of its energy density. In this study, we propose a new NASICON-type Na4MnCr(PO4)2F3 (NMCPF) cathode and systematically investigate its key properties using first-principles calculations. NMCPF exhibits the ability to extract/insert three sodium ions per formula unit, resulting in a high specific capacity of 180.34 mAh/g, and demonstrates three-electron redox reactions involving three redox couples of Mn2+/3+ (3.05 V), Mn3+/4+ (4.11 V), and Cr3+/4+ (4.64 V). Consequently, its energy density can reach 709.33 Wh/kg. In addition, NMCPF exhibits a small volume change of 8.2% during the charging/discharging process and sodium ion diffusion properties comparable to those of NVPF. This study demonstrates the potential of NMCPF as a promising cathode material with high energy density for SIBs

A New Spinel Chloride Solid Electrolyte with High Ionic Conductivity and Stability for Na-Ion Batteries

Halide materials are of current interest as solid electrolytes for all-solid-state sodium-ion batteries (ASIBs), due to their good balance between ionic conductivity and electrochemical stability. In this work, by using density functional theory combined with deep potential model and grand potential phase diagram analysis, we report a new spinel chloride (Na2Y2/3Cl4) and systemically evaluate its potential for the solid electrolyte. The spinel Na2Y2/3Cl4 exhibits a high ionic conductivity of 0.94 mS/cm at room temperature and has a three-dimensional isotropic diffusion network comprised of face-sharing octahedra and tetrahedra. Further analysis of the diffusion mechanism indicates that the Na+ conductivity mainly derives from Na ions in the 8a site while the Na ions in the 16d site are mainly used for forming the rhombus skeleton. Besides, the spinel Na2Y2/3Cl4 has a wide electrochemical window of 0.59–3.76 V and good interfacial stability with high-voltage cathodes, which ensures its ability to improve the energy density of ASIBs. This study demonstrates the promising application of the spinel framework in sodium solid electrolytes and sheds new light on developing the halide-based solid electrolyte for ASIBs

Computational Design of Cation-Disordered Li₃Ta₂O₅ with Fast Ion Diffusion Dynamics and Rich Redox Chemistry for a High-Rate Li-Ion Battery Anode Material

Disordered rock salt transition-metal oxides have emerged recently as promising electrodes for Li-ion batteries (LIBs). However, only two disordered rock salt (DRX) materials, Li3V2O5 and Li3Nb2O5, have been studied as anodes so far, leaving numerous DRX compounds with vast compositions and exotic battery-related performance unexplored. Here, based on theoretical analyses and calculations, we propose a Ta pentoxide-based DRX anode with rich electrochemical properties, where the thermodynamic stability, average voltage, energy density, redox chemistry, and cation mobility are studied. Our results show that DRX-Li3Ta2O5 can cycle three Li ions at an average voltage of 1.27 V, which is higher than that of DRX-Li3V2O5 (0.73 V) but lower than that of DRX-Li3Nb2O5 (1.76 V), falling in the optimal range for the high rate performance. More importantly, DRX-Li3Ta2O5 exhibits a superhigh volumetric capacity of 1336 mAh cm–3, which surpasses that of graphite, Li4Ti5O12, and DRX-Li3V2O5. Meanwhile, the unique geometry of DRX-Li3Ta2O5 allows Li+ to diffuse rapidly through channels with low diffusion energy barriers, and Ta2O5 is electronically activated by inserting Li+ into the available octahedral sites with enhanced orbital overlapping. Our work expands the family of DRX anode materials with new features

Mechanisms of Ionic Diffusion and Stability of the Na₄MnCr(PO₄)₃ Cathode

The NASICON-type polyanionic compounds are promising cathode materials for sodium-ion batteries (SIBs) due to their robust framework and high work voltage. Motivated by the recent synthesis of high-performance Na4MnCr­(PO4)3(NMCP) [Zhang et al. Adv. Mater. 2020, 32, 1906348] that exhibits a reversible three-electron process with a high energy density of 566.5 Wh/kg, we provide an in-depth theoretical study on the underlying mechanisms of ion diffusion and stability for a better understanding of the experimental results. We self-consistently calculate the Hubbard U parameters for Mn and Cr in the NMCP system using the linear response approach and successfully reproduce the three voltage plateaus observed in the experiment. At the low voltage plateau, the Na+ ions diffuse with both concerted and stepwise migration mechanisms, and the corresponding energy barrier is 0.18 and 0.21 eV. The synergy of these two mechanisms results in fast diffusion kinetics for the Na ion in NMCP. Besides, the redox couples of Mn2+/Mn3+, Mn3+/Mn4+, and Cr3+/Cr4+ are confirmed theoretically in good agreement with the experiment. Despite the distinct changes of O-2p states during the charging/discharging process, the NASICON framework of NMCP withstands the formations of O2 or (O2)2–, thus exhibiting high stability. Especially, we have identified the locking effect of Na+ ions at low Na+ concentration due to the large site energy difference and weak concerted migration, which can be effectively modulated by enlarging the lattice constants to improve the performance of NMCP during cycling

Mechanisms of Ionic Diffusion and Stability of the Na₄MnCr(PO₄)₃ Cathode

The NASICON-type polyanionic compounds are promising cathode materials for sodium-ion batteries (SIBs) due to their robust framework and high work voltage. Motivated by the recent synthesis of high-performance Na4MnCr­(PO4)3(NMCP) [Zhang et al. Adv. Mater. 2020, 32, 1906348] that exhibits a reversible three-electron process with a high energy density of 566.5 Wh/kg, we provide an in-depth theoretical study on the underlying mechanisms of ion diffusion and stability for a better understanding of the experimental results. We self-consistently calculate the Hubbard U parameters for Mn and Cr in the NMCP system using the linear response approach and successfully reproduce the three voltage plateaus observed in the experiment. At the low voltage plateau, the Na+ ions diffuse with both concerted and stepwise migration mechanisms, and the corresponding energy barrier is 0.18 and 0.21 eV. The synergy of these two mechanisms results in fast diffusion kinetics for the Na ion in NMCP. Besides, the redox couples of Mn2+/Mn3+, Mn3+/Mn4+, and Cr3+/Cr4+ are confirmed theoretically in good agreement with the experiment. Despite the distinct changes of O-2p states during the charging/discharging process, the NASICON framework of NMCP withstands the formations of O2 or (O2)2–, thus exhibiting high stability. Especially, we have identified the locking effect of Na+ ions at low Na+ concentration due to the large site energy difference and weak concerted migration, which can be effectively modulated by enlarging the lattice constants to improve the performance of NMCP during cycling

Computational Design of Cation-Disordered Li₃Ta₂O₅ with Fast Ion Diffusion Dynamics and Rich Redox Chemistry for a High-Rate Li-Ion Battery Anode Material

Disordered rock salt transition-metal oxides have emerged recently as promising electrodes for Li-ion batteries (LIBs). However, only two disordered rock salt (DRX) materials, Li3V2O5 and Li3Nb2O5, have been studied as anodes so far, leaving numerous DRX compounds with vast compositions and exotic battery-related performance unexplored. Here, based on theoretical analyses and calculations, we propose a Ta pentoxide-based DRX anode with rich electrochemical properties, where the thermodynamic stability, average voltage, energy density, redox chemistry, and cation mobility are studied. Our results show that DRX-Li3Ta2O5 can cycle three Li ions at an average voltage of 1.27 V, which is higher than that of DRX-Li3V2O5 (0.73 V) but lower than that of DRX-Li3Nb2O5 (1.76 V), falling in the optimal range for the high rate performance. More importantly, DRX-Li3Ta2O5 exhibits a superhigh volumetric capacity of 1336 mAh cm–3, which surpasses that of graphite, Li4Ti5O12, and DRX-Li3V2O5. Meanwhile, the unique geometry of DRX-Li3Ta2O5 allows Li+ to diffuse rapidly through channels with low diffusion energy barriers, and Ta2O5 is electronically activated by inserting Li+ into the available octahedral sites with enhanced orbital overlapping. Our work expands the family of DRX anode materials with new features

Isothermal titration calorimetry results and the curving fitting between peptide ligands and Shank1 PDZ protein.

<p>(A) The titration of ligands <b>p1</b>, <b>p2</b> and <b>p3</b> to Shank1 PDZ protein (A1, A2 and A3 are for <b>p1</b>, <b>p2</b> and <b>p3</b> respectively). (A1) [<b>p1</b>] = 4 mM, [Shank1 PDZ] = 400 μM; (A2) [<b>p2</b>] = 326 μM, [Shank1 PDZ] = 43 μM; (A3) [<b>p3</b>] = 354 μM, [Shank1 PDZ] = 35 μM. For the binding pair <b>p1</b> ligand and Shank1 PDZ, the affinity was very low so that protein concentration was adjusted higher to get accuracy affinity data. (B)The titration of diluted <b>p2</b>, <b>p3</b> and dimeric peptide with changed linker length to Shank1 PDZ protein. (B1) [<b>p2</b>] = 194 μM, [Shank1 PDZ] = 0.018 μM; (B2) [<b>p3</b>] = 160 μM, [Shank1 PDZ] = 16 μM; (B3) [dimeric peptide BM(PEG)₃] = 600 μM, [Shank1 PDZ] = 53 μM.</p

The structure ofβPIX trimer bound with Shank PDZ (PDB ID 3L4F).

[9] Peptide binding motif ofβPIX is indicated by the red arrow.</p