Oxide-derived copper (OD-Cu) catalysts are promising candidates for the electrochemical CO 2 reduction reaction (CO 2 RR) due to the enhanced selectivity toward ethylene over methane evolution, which has been linked to the presence of subsurface oxygen (O sb ). In this work, O sb is investigated with theoretical methods. Although O sb is unstable in slab models, it becomes stabilized within a "manually" reduced OD-Cu nanocube model which was calculated by self-consistent charge density functional tight binding (SCC-DFTB). The results obtained with SCC-DFTB for the full nanocube were confirmed with subcluster models extracted from the nanocube, calculated with both density functional theory (DFT) and SCC-DFTB. The higher stability of O sb in the nanocube is attributed to the disordered structure and greater flexibility. The adsorption strength of CO on Cu(100) is enhanced by O sb withdrawing electron density from the Cu atom, resulting in reduction of the σ-repulsion. Hence, the coverage of CO may be increased, facilitating its dimerization.

Objectives To estimate the short term effect of particulate air pollution (particle diameter <10 μm, or PM 10 ) on mortality and explore the heterogeneity of particulate air pollution effects in major cities in China.Design Generalised linear models with different lag structures using time series data.Setting 38 of the largest cities in 27 provinces of China (combined population >200 million). Main outcome measure Daily numbers of deaths from all causes, cardiorespiratory diseases, and non-cardiorespiratory diseases and among different demographic groups were used to estimate the associations between particulate air pollution and mortality.Results A 10 µg/m 3 change in concurrent day PM 10 concentrations was associated with a 0.44% (95% confidence interval 0.30% to 0.58%) increase in daily number of deaths. Previous day and two day lagged PM 10 levels decreased in magnitude by one third and two thirds but remained statistically significantly associated with increased mortality. The estimate for the effect of PM 10 on deaths from cardiorespiratory diseases was 0.62% (0.43% to 0.81%) per 10 µg/m 3 compared with 0.26% (0.09% to 0.42%) for other cause mortality. Exposure to PM 10 had a greater impact on females than on males. Adults aged 60 and over were more vulnerable to particulate air pollution at high levels than those aged less than 60. The PM 10 effect varied across different cities and marginally decreased in cities with higher PM 10 concentrations. ConclusionParticulate air pollution has a greater impact on deaths from cardiorespiratory diseases than it does on other cause mortality. People aged 60 or more have a higher risk of death from particulate air pollution than people aged less than 60. The estimates of the effect varied across cities and covered a wide range of domain. IntroductionAir pollution and its negative consequences are major public health concerns in China. [1][2][3] According to the Global Burden of Disease Study, a loss of 25 million healthy years and more than 1.2 million premature deaths in China were attributed to outdoor air pollution in 2010. 4 In 2012 the Organisation for Economic Co-operation and Development estimated that by 2050 as many as 3.6 million people worldwide could die prematurely from air pollution each year. Most of the deaths were estimated to occur in China and India. Many time series studies conducted in Chinese cities have consistently found that temporarily higher air pollution levels were associated with increased mortality.6 7 A common limitation in these studies was that the data were often from one city or just a few cities. Most of the studies focused on heavily pollutedCorrespondence to: M Zhou maigengzhou@126.com Data supplements on bmj.com (see

To study the effects of type and content of cosolvent as well as temperature on the properties of two well-known deep eutectic solvents (DESs), i.e., ChCl/EG (choline chloride + ethylene glycol at a molar ratio of 1:2) and ChCl/Gly (choline chloride and glycerol at a molar ratio of 1:2), the density and viscosity of the mixtures of ChCl/EG or ChCl/Gly with methanol (MeOH) and water (H2O) over the whole compositional range at temperatures from 288.15 to 323.15 K as well as the molar enthalpy of mixing for the mixtures of ChCl/EG or ChCl/Gly + MeOH were experimentally measured. The excess molar volume, viscosity deviation, and excess molar Gibbs energy of activation were further calculated to study the effects of temperature, types of cosolvent and DES, and their contents on the nonideal behavior of these pseudobinary systems. The molar enthalpy of mixing measured in this work was further compared with those with H2O as the cosolvent reported in the literature. It shows that the mixing of these two DESs with MeOH is exothermic, which is opposite compared to those mixed with H2O. Additionally, the nonrandom two-liquid model and Gibbs–Helmholtz equation were combined to represent the experimental results of the enthalpy of mixing.

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