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| 1 | Pushing the limit of thermal conductivity of MAX borides and MABs显示文摘The emergence of MAX borides as well as MAB phases attracted great attention because of the renewable developments of ternary ceramics and offering great opportunities in potential applications.However,the number of borides remains limited,and further fundamental descriptions and detailed investigations on various properties are still lacking.In this report,we employ an integrated computational scheme that combines density functional theory with the evolutional algorithm to search for the favorable structures of P-and S-glued ternary borides terminated by Nb metal.We discover that the structures of 212-type,as e.g.Nb_(2)PB_(2)and Nb_(2)SB_(2),belong to the P6m2 space group,while those of 211-type,as e.g.Nb_(2)PB and Nb_(2)SB,prefer to crystallize in the P6_(3)/mmc space group,and the corresponding carbides Nb_(2)PC and Nb_(2)SC are also considered for the sake of completeness and comparative analsys.The predicted Nb_(2)PB_(2),Nb_(2)PB,Nb_(2)SB,Nb_(2)PC and Nb_(2)SC are energetically stable,as revealed by the negative formation energies and by the proposed reaction paths with respect to the most competing phases,as well as dynamically stable,as suggested by the non-imaginary phonon spectra.The thermal conductivities of the six materials show unusual behaviors,particularly for the acoustic and optical contributions,and are accompanied by a strong anisotropy.Most importantly,Nb_(2)PB_(2) is found to be an excellent thermal conductor with a total thermal conductivity of~65 W/(m K),while Nb_(2)SC is found to be an ultra-low thermal conductor,with a total thermal conductivity of~5 W/(m K).These values are clearly outside the currently reported range of thermal conductivities,which makes Nb_(2)PB_(2)and Nb_(2)SC extremely interesting for fundamental research as well as prospective applications with the aid of artificial tunings on the almost independent MB block and the A layer.The discovery of these novel materials is expected to contribute substantially to the rapid development of ternary ceramics and to accelerate attempts in the applicability of MAX phases for heat conduction. | Shaohan Li Weiwei Sun Yi Luo Jin Yu Litao Sun Bao-Tian Wang Ji-Xuan Liu Guo-Jun Zhang Igor Di Marco | 2022 | Journal of Materials Science & Technology2022，，2： | 2 |
| 2 | A deterministicglobal optimization algorithm显示文摘 | JI Ying ZHANG Kecun QU Shaohan | 2007 | Applied Mathematics andComputation2007，185，： | 1 |
| 3 | Apoptosis induced by NaYF_4:Eu^(3+) nanoparticles in liver cells via mitochondria damage dependent pathway显示文摘As lanthanide-doped sodium yttrium flouride(NaYF_4)nanoparticles have great potential inbiomedical applications,their biosafety is important and has attracted significant attention.In the present work,three different sized NaYF_4:Eu^(3+)nanoparticles have been prepared.Liver BRL 3 A cell was used as a cell model to evaluate their biological effects.Cell viability and apoptosis assays were used to confirm the cytotoxicity induced by NaYF_4:Eu^(3+)NPs.Apart from the elevated malondialdehyde(MDA),the decrease of superoxide dismutase(SOD),glutathione peroxidase(GSH-PX)and catalase(CAT)activity indicated reactive oxygen species(ROS)generation,which were associated with oxidative damage.The decrease of mitochondrial membrane potential(MMP)value demonstrated the occurrence of mitochondria damage.Then,release of cytochrome c from mitochondria and activation of caspase-3 confirmed that NaYF_4:Eu^(3+)NPs induced apoptosis was mitochondria damage-dependent. | Shaohan Zhang Shizhu Chen Chunyue Gao Yi Jin Guang Jia Zhenhua Li Dandan Liu Xingjie Liang Xinjian Yang Jinchao Zhang | 2017 | Science China Chemistry2017，60，1： | 0 |
| 4 | Emerging organic contaminants of liquid crystal monomers:Environmental occurrence,recycling and removal technologies,toxicities and health risks显示文摘Liquid crystal monomers(LCMs)are a family of synthetic organic chemicals applied in the liquid crystal displays(LCDs)of various electric and electronic products(e-products).Due to their unique properties(i.e.,persistence,bioaccumulative potential,and toxicity)and widespread environmental distributions,LCMs have attracted increasing attention across the world.Recent studies have focused on the source,distribution,fate,and toxicity of LCMs;however,a comprehensive review is scarce.Herein,we highlighted the persistence and bioaccumulation potential of LCMs by reviewing their physical–chemical properties.The naming rules were suggested to standardize the abbreviations regarding LCMs.The sources and occurrences of LCMs in different environmental compartments,including dust,sediment,soil,leachate,air and particulate,human serum,and biota samples,were reviewed.It is concluded that the LCMs in the environment mainly originate from the usage and disassembly of eproducts with LCDs.Moreover,the review of the potential recycling and removal technologies regarding LCMs from waste LCD panels suggests that a combination of natural attenuation and physic-chemical remediation should be developed for LCMs remediations in the future.By reviewing the health risks and toxicity of LCMs,it is found that a large gap exists in their toxicity and risk to organisms.The fate and toxicity investigation of LCMs,and further investigations on the effects on the human exposure risks of LCMs to residents,especially to occupational workers,should be considered in the future. | Zhipeng Cheng Shaohan Zhang Huijun Su Haoduo Zhao Guanyong Su Mingliang Fang Lei Wang | 2023 | Eco-Environment & Health2023，2，3： | 0 |
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