First-Principles Investigation of Anistropic Hole Mobilities in Organic Semiconductors

We report a simple first-principles-based simulation model (combining quantum mechanics with Marcus−Hush theory) that provides the quantitative structural relationships between angular resolution anisotropic hole mobility and molecular structures and packing. We validate that this model correctly predicts the anisotropic hole mobilities of ruberene, pentacene, tetracene, 5,11-dichlorotetracene (DCT), and hexathiapentacene (HTP), leading to results in good agreement with experiment

Natures of Tcs(2900)T_{cs}(2900) and Tcsˉa(2900)T^a_{c\bar{s}}(2900)

Inspired by the states $T_{cs0}(2900)^0$, $T_{cs1}(2900)^0$, $T^a_{c\bar{s}0}(2900)^{0}$ and $T^a_{c\bar{s}0}(2900)^{++}$ reported by the LHCb Collaboration, we carry out a systematical investigation on the properties of the ground and $P$-wave states $[cs][\bar{u}\bar{d}]$ and $[cu][\bar{s}\bar{d}]$ with various spin, isospin or $U$-spin, and color combinations in a multiquark color flux-tube model. Matching our results with the spin-parity and mass of the states $T_{cs0}(2900)^0$ and $T_{cs1}(2900)^0$, we can describe them as the compact states $[cs][\bar{u}\bar{d}]$ with $I(J^{P})=1(0^+)$ and $0(1^-)$ in the model, respectively. The ground state $T_{cs0}(2900)^0$ is mainly made of strongly overlapped axial-vector $[cs]_{\bar{\mathbf{3}}_c}$ and axial-vector $[\bar{u}\bar{d}]_{\mathbf{3}_c}$. The $P$-wave state $T_{cs1}(2900)^0$ is dominantly consisted of gradually separated scalar or axial vector $[cs]_{\bar{\mathbf{3}}_c}$ and scalar $[\bar{u}\bar{d}]_{\mathbf{3}_c}$ in the shape of a dumbbell. Supposing the states $T^a_{c\bar{s}0}(2900)^{0}$ and $T^a_{c\bar{s}0}(2900)^{++}$ belong to the same isospin triplet, the mass of the state $\left [[cu]_{\bar{\mathbf{3}}_c}[\bar{s}\bar{d}]_ {\mathbf{3}_c}\right ]_{\mathbf{1}_c}$ with symmetrical $U$-spin and $J^P=0^+$ is highly consistent with that of the states $T^a_{c\bar{s}0}(2900)^{0}$ and $T^a_{c\bar{s}0}(2900)^{++}$ in the model. After coupling two color configurations, the state $[cu][\bar{s}\bar{d}]$ is a little lighter than the states $T^a_{c\bar{s}0}(2900)^{0}$ and $T^a_{c\bar{s}0}(2900)^{++}$. In addition, we also discuss the properties of other states in the model.Comment: 8 pages, 4 tables, comments are welcom

On the specific status of Scelimena spicupennis and a new record of S. discalis from China with mitochondrial genome characterization (Orthoptera, Tetrigidae)

The genus Scelimena Serville (Orthoptera: Tetrigidae) from China is reviewed. One species, Scelimena spicupennis Zheng & Ou, 2003 (China: Yunnan) is redescribed, and a new record of Scelimena discalis (Hancock, 1915) from China is given. An annotated identification key for Chinese species of the genus Scelimena is provided. Mitochondrial genes of S. spicupennis and S. discalis were sequenced and annotated. The sizes of the two sequenced mitogenomes are 17,552 bp (S. discalis), and 16,069 bp (S. spicupennis), respectively. All of the PCGs started with the typical ATN (ATT, ATC or ATG) or TTG codon and most ended with complete TAA or TAG codon, with the exception of the ND5 gene, which terminated with an incomplete T. The mitochondrial genomes for these two recorded species are provided, and the constructed phylogenetic tree supports their morphological taxonomic classification. The topology of the phylogenetic tree showed that three species of Scelimena were clustered into one branch and formed a monophyletic and a holophyletic group

Recent Progress of Remediating Heavy Metal Contaminated Soil Using Layered Double Hydroxides as Super-Stable Mineralizer

Heavy metal contamination in soil, which is harmful to both ecosystem and mankind, has attracted worldwide attention from the academic and industrial communities. However, the most-widely used remediation technologies such as electrochemistry, elution, and phytoremediation. suffer from either secondary pollution, long cycle time or high cost. In contrast, in situ mineralization technology shows great potential due to its universality, durability and economical efficiency. As such, the development of mineralizers with both high efficiency and low-cost is the core of in situmineralization. In 2021, the concept of ‘Super-Stable Mineralization’ was proposed for the first time by Kong et al.[1] The layered double hydroxides (denoted as LDHs), with the unique host–guest intercalated structure and multiple interactions between the host laminate and the guest anions, are considered as an ideal class of materials for super-stable mineralization. In this review, we systematically summarize the application of LDHs in the treatment of heavy metal contaminated soil from the view of: 1) the structure–activity relationship of LDHs in in situ mineralization, 2) the advantages of LDHs in mineralizing heavy metals, 3) the scale-up preparation of LDHs-based mineralizers and 4) the practical application of LDHs in treating contaminated soil. At last, we highlight the challenges and opportunities for the rational design of LDH-based mineralizer in the future