The effect of charge on the dihydrogen storage capacity of Sc2–C6H6

The effect of charge on the dihydrogen storage capacity of Sc₂–C₆H₆ has been investigated at B3LYP-D3/6-311G(d,p) level. The neutral system Sc₂–C₆H₆ can store 8H₂ with gravimetric density of 8.76 wt %, and one H₂ dissociates and bonds atomically on the scandium atom. The adsorption of 8H₂ on Sc₂–C₆H₆ is energetically favorable below 155 K. The atom-centered density matrix propagation (ADMP) molecular dynamics simulations show that Sc₂–C₆H₆ can adsorb 3H₂ within 1000 fs at 300K. Compared with Sc₂–C₆H₆, the charged systems can adsorb more hydrogen molecules with higher gravimetric density, and all the H₂ are adsorbed in the molecular form. The gravimetric densities of Sc₂–C₆H₆⁺ and Sc₂–C₆H₆²⁺ are 9.75 and 10.71 wt%. Moreover, the maximum adsorption of charged systems are favorable in wider temperature range. Most importantly, the ADMP-MD simulations indicate that Sc₂–C₆H₆²⁺ can adsorb 6 hydrogen molecules within 1000 fs at 300K. It can be found that the gravimetric density (6.72 wt%) of Sc₂–C₆H₆²⁺ still exceeds the target of US Department of Energy (DOE) under ambient conditions.     

Real-time molecular characterization of air pollutants in a Hong Kong residence: Implication of indoor source emissions and heterogeneous chemistry

Due to the high health risks associated with indoor air pollutants and long-term exposure, indoor air quality has received increasing attention. In this study, we put emphasis on the molecular composition, source emissions, and chemical aging of air pollutants in a residence with designed activities mimicking ordinary Hong Kong homes. More than 150 air pollutants were detected at molecular level, 87 of which were quantified at a time resolution of not less than 1 hour. The indoor-to-outdoor ratios were higher than 1 for most of the primary air pollutants, due to emissions of indoor activities and indoor backgrounds (especially for aldehydes). In contrast, many secondary air pollutants exhibited higher concentrations in outdoor air. Painting ranked first in aldehyde emissions, which also caused great enhancement of aromatics. Incense burning had the highest emissions of particle-phase organics, with vanillic acid and syringic acid as markers. The other noteworthy fingerprints enabled by online measurements included linoleic acid, cholesterol, and oleic acid for cooking, 2,5-dimethylfuran, stigmasterol, iso-/anteiso-alkanes, and fructose isomers for smoking, C₂₈-C₃₄ even n-alkanes for candle burning, and monoterpenes for the use of air freshener, cleaning agents, and camphor oil. We showed clear evidence of chemical aging of cooking emissions, giving a hint of indoor heterogeneous chemistry. This study highlights the value of organic molecules measured at high time resolutions in enhancing our knowledge on indoor air quality.     

Indoor solid fuel use for heating and cooking with blood pressure and hypertension: A cross-sectional study among middle-aged and older adults in China

A cross-sectional study was conducted to investigate the impact of solid fuel use for heating and cooking on blood pressure (BP) and hypertension, using data from the China Health and Retirement Longitudinal Study (CHARLS). The primary fuels used for indoor heating and cooking were collected by questionnaires, respectively. Hypertension was defined based on self-report of physician's diagnosis, and/or measured BP, and/or anti-hypertensive medication use. Multivariate logistic regression models were constructed to assess the associations. Among 10 450 eligible participants, 68.2% and 57.2% used indoor solid fuel for heating and cooking, respectively. Compared with none/clean fuel users, solid fuel for heating was associated with elevated BP (adjusted β: 2.02, 95% CI: 1.04–3.01 for systolic BP; adjusted β: 1.36, 95% CI: 0.78–1.94 for diastolic BP) and increased risk of hypertension (adjusted odds ratio: 1.15, 95% CI: 1.03–1.29). The impact of indoor solid fuel for heating on BP was more evident in rural and north residents, and hypertensive patients. We did not detect any significant associations between solid fuel use for cooking and BP/hypertension. Indoor solid fuel use is prevalent in China, especially in the rural areas. Its negative impact on BP suggested that modernization of household fuel use may help to reduce the burden of hypertension in China.     

Ultrafast Electron–Phonon Coupling at Metal-Dielectric Interface

Energy transfer from photo-excited electrons in a metal thin film to the dielectric substrate is important for understanding the ultrafast heat transfer process across the two materials. Substantial research has been conducted to investigate heat transfer in a metal-dielectric structure. In this work, a two-temperature model in metal was used to analyze the interface electron and dielectric substrate coupling. An improved temperature and wavelength-dependent Drude–Lorentz model was implemented to interpret the signals obtained in optical measurements. Ultrafast pump-and-probe measurements on Au-Si samples were carried out, where the probe photon energy was chosen to be close to the interband transition threshold of gold to minimize the influence of non-equilibrium electrons on the optical response and maximize the thermal modulation to the optical reflectance. Electron-substrate interface thermal conductance at different pump laser fluences was obtained, and was found to increase with the interface temperature.     

Advances in the in vitro digestion and fermentation of polysaccharides

In vitro digestion models are widely used to study the structural changes, digestion and release of food components under simulated gastrointestinal conditions. As compared to the in vivo digestion tests, the in vitro digestion reflects the digestion and utilisation of food after ingestion and has the advantages of being time consuming, inexpensive, reproducible and free from moral and ethical restrictions. This study reviewed the current research studies on the in vitro simulated digestion of polysaccharides conducted in the last 5 years and focused on the oral, gastric and intestinal digestion models, with the aim of providing a basis for the further testing of changes in the content, structure and active ingredients of polysaccharides before and after digestion.     

Fluoride-mediately solvothermal synthesis and tunable photocatalytic selectivity of urchin-like ZrO2 hollow microspheres

Photocatalysts often show excellent performances on the basis of their surface state of exposed faces with high reactivity, but unfortunately surfaces of this type are usually concealed into the interior of crystals for their high surface energy. We report here a possibility that for fluorine-terminated surfaces of monoclinic ZrO₂, these higher-energy surfaces could be retained and exposed. Urchin-like ZrO₂ hollow microspheres (UZHS) composed of nanoribbons with exposed (010) facets are obtained through a fluoride mediately solvothermal method. We prove the stabilization effect of fluorine adsorption on (010) facets by density functional theory calculations. More interestingly, UZHS exhibit tunable photocatalytic selectivity in dye degradation. The fluorinated UZHS exhibit good performances both on decomposing Congo red (CR) and methylene blue, while the surface-modified UZHS by calcination only favor decomposition of CR.     

Influence of geosynthetic reinforcement on the stability of an embankment with rigid columns embedded in an inclined underlying stratum

Incompressible dipping substrata are commonly encountered in engineering practice. Compared to horizontal underlying strata, the inclined underlying stratum increase the risk of collapse of embankments reinforced with columns because it weakens the restraint of the column base. The objective of this study is to investigate the effectiveness of geosynthetics on improving the embankment stability when the underlying stratum is inclined. The influence of geosynthetic tensile stiffness on the ultimate surcharge and failure mechanism is studied. A deep-seated failure with column tilting occurs when the geosynthetic tensile stiffness is low, whereas a lateral sliding occurs when the geosynthetic tensile stiffness is high. To illustrate the contribution of geosynthetics, the distribution of the lateral pressures acting on the columns is analyzed.     

Rational Designs for Lithium-Sulfur Batteries with Low Electrolyte/Sulfur Ratio

Lithium-sulfur batteries (LSBs) are considered a promising next-generation energy storage device owing to their high theoretical energy density. However, their overall performance is limited by several critical issues such as lithium polysulfide (PS) shuttles, low sulfur utilization, and unstable Li metal anodes. Despite recent huge progress, the electrolyte/sulfur ratio (E/S) used is usually very high (≥20 µL mg⁻¹), which greatly reduces the practical energy density of devices. To push forward LSBs from the lab to the industry, considerable attention is devoted to reducing E/S while ensuring the electrochemical performance. To date, however, few reviews have comprehensively elucidated the possible strategies to achieve that purpose. In this review, recent advances in low E/S cathodes and anodes based on the issues resulting from low E/S and the corresponding solutions are summarized. These will be beneficial for a systematic understanding of the rational design ideas and research trends of low E/S LSBs. In particular, three strategies are proposed for cathodes: preventing PS formation/aggregation to avoid inadequate dissolution, designing multifunctional macroporous networks to address incomplete infiltration, and utilizing an imprison strategy to relieve the adsorption dependence on specific surface area. Finally, the challenges and future prospects for low E/S LSBs are discussed.     

Threshold privacy-preserving cloud auditing with multiple uploaders

International Journal of Information Security - Data integrity is a critical security issue in cloud storage. The data integrity checking schemes by a third-party auditor (TPA) have attracted a lot...