分类： 地球科学 >> 大气科学 提交时间： 2023-04-13 合作期刊: 《干旱区科学》
摘要：The preceding and succeeding precipitation (PSP) often act together with extreme precipitation (EP), in turn, causing floods, which is an objective component that is often overlooked with regard to summer flood hazards in the arid region of Northwest China. In this study, event-based extreme precipitation (EEP) was defined as continuous precipitation that includes at least one day of EP. We analyzed the spatiotemporal variation characteristics of four EEP types (front EEP, late EEP, balanced EEP, and single day EEP) across the Loess Plateau (LP) based on data acquired from 87 meteorological stations from 1960 to 2019. Precipitation on the LP basically maintained a spatial pattern of "low in the northwest region and high in the southeast region", and EP over the last 10 a increased significantly. The cumulative precipitation percentage of single day EEP was 34% and was dominant for 60 a, while the cumulative precipitation percentage of front, late, and balanced EEP types associated with PSP accounted for 66%, which confirms to the connotation of EEP. The cumulative frequencies of front and late EEP types were 23% and 21%, respectively, while the cumulative frequency of balanced EEP had the lowest value at only 13%. Moreover, global warming could lead to more single day EEP across the LP, and continuous EEP could increase in the northwestern region and decrease in the eastern region in the future. The concept of process-oriented EP could facilitate further exploration of disaster-causing processes associated with different types of EP, and provide a theoretical basis for deriving precipitation disaster chains and construction of disaster cluster characteristics.
分类： 化学 >> 物理化学 提交时间： 2017-11-05 合作期刊: 《结构化学》
摘要： Density functional theory (DFT) and coupled cluster theory (CCSD(T)) calculations were employed to investigate the geometric and electronic structures of a range of dinuclear molybdenum sulfide clusters, Mo2Sn– and Mo2Sn (n = 4～8). The results showed that the sulfur atoms tended to occupy the terminal sites of the clusters continuously in the process of sequential sulfidation. After the oxidation state of Mo atoms reached the maximum of +6, diverse disulfur ligands emerged in the sulfur-rich Mo2Sn–/0 (n = 7, 8) clusters. The driving forces of removing a sulfur atom from different S ligands in Mo2Sn–/0 (n = 4～8) clusters, especially from those disulfur units, were evaluated. The corresponding order may provide insight into the pretreatment of fresh MoS2 catalysts. Vertical detachment energies (VDEs) were predicted according to the Generalized Koopmans’ theorem, and then the photoelectron spectra (PES) were simulated. Molecular orbital and spin density values were analyzed to elucidate the chemical bonding and the evolutionary behavior in the dinuclear molybdenum sulfide clusters.
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