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Multidisciplinary and multiscale nanoscience research roadmap based on large scientific facilities

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Science China Chemistry 2024年第8期67卷 2497-2523页

作者： Yuan Zeng Shuhan Zhang Yuecong Guo Yalin Cong Xu ding Peihua Li Yunxiang Lin Wenzhi Ren Hui Su Weigang Sun Liuxin Xu Guikai Zhang shihua Chen Yu Chen Weiren Cheng Shengqi Chu yong Guan Jinru Han Jie Lin Hengjie Liu Zheyi Liu Pan Luo Fanchun Meng Sicong Qiao Zongyin Song Ying wang Zhao Wu Chenyu Yang Meng Yang Shirui Yang Zi Yin Zhibin Yin Pengjun Zhang Hongyu Zhang Pingping Zheng Jia Zhou Wanlin Zhou Pengfei An He Cheng Chunhai Fan Xingjiu Huang yong Lei Lina Li Mu Li Qinghua Liu Shuming Peng Li Song Zhihu Sun Yangchao Tian Fangjun wang Lihua wang Liming wang Shiqiang Wei Aiguo Wu Chunlei Xiao Xueming Yang Panchao Yin Jing Zhang Mingxin Zhang Yaling wang Chunying Chen CAS Key Laboratory for Biomedical Effects of Nanomaterials and Nanosafety New Cornerstone Science LaboratoryNational Center for Nanoscience and TechnologyBeijing 100190China University of Chinese Academy of Sciences Beijing 100049China National Synchrotron Radiation Laboratory University of Science and Technology of ChinaHefei 230029China institute of Solid State physics Hefei Institutes of Physical ScienceChinese Academy of SciencesHefei 230031China institutes of Physical Science and Information Technology Anhui UniversityHefei 230601China Ningbo Key Laboratory of Biomedical Imaging Probe Materials and Technology Zhejiang International Cooperation Base of Biomedical Materials Technology and ApplicationCAS Key Laboratory of Magnetic Materials and DevicesNingbo Cixi Institute of Biomedical EngineeringZhejiang Engineering Research Center for Biomedical MaterialsNingbo Institute of Materials Technology and EngineeringChinese Academy of SciencesNingbo 315201China Advanced Energy Science and Technology Guangdong Laboratory Huizhou 516000China College of Chemistry and chemical Engineering Hunan Normal UniversityChangsha 410081China State Key Laboratory of Luminescent Materials and Devices South China Advanced Institute for Soft Matter Science and TechnologySouth China University of TechnologyGuangzhou 510640China Beijing Synchrotron Radiation Facility Institute of High Energy PhysicsChinese Academy of SciencesBeijing 100049China CAS Key Laboratory of Separation Sciences for Analytical Chemistry Dalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023China State Key Laboratory of Molecular Reaction Dynamics Dalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023China institute of Advanced Science Facilities Shenzhen 518107China State Key Laboratory of Coal Conversion Institute of Coal ChemistryChinese Academy of SciencesTaiyuan 030001China State Key Laboratory of Particle Detection and Electronics Institute of High Energy PhysicsChinese Acade

With the advancement of modern science and technology, large scientific facilities are increasingly oriented toward demand and application, and can be used for basic research as well as serving multiple disciplines. Developing large scientific facilities and related analytical technologies enhances understanding of large scientific facilities and popularizes their application in research across multiple disciplines. The combination of light or neutron sources from large scientific facilities and advanced analytical technologies can be achieved for materials structure information, dynamics study of chemical reactions, high dissociation of biomolecules, 3D visualization of energy materials or biological samples, etc. We first introduce the progress of domestic large scientific facilities of synchrotron radiation(SR) and free electron lasers(FELs) with different wavelengths and neutron *** further discuss the comparison between Chinese and typical foreign facilities in X-ray radiation from X-ray tubes, synchrotrons, X-ray FELs, and neutron sources based on physical parameters of light and neutron sources. In addition, we focus on the technological progress and perspectives combined with advanced X-ray radiation and neutron sources of large scientific facilities in China, especially in the nanoscience fields of energy catalysis and biological science. We hope that this roadmap will provide references on technology and methods to experimental users, as well as prospects for future development of technologies based on large research infrastructure facilities. Comprehensive studies and guidelines for basic research to practical application in various disciplines can be made with the assistance of large scientific facilities.

关键词： large scientific facilities synchrotron radiation FEL light sources neutron sources spectroscopic analysis methods X-ray imaging techniques structural information chemical dynamics

A Study on Relationship Between Gas Chromatographic Retention Value and Atomic Hydrophobic Parameters

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chemical Research in Chinese Universities 1990年第3期6卷 236-243页

作者： Zhang Shuzhong, ding yong and Yuan Lubin (dalian University of Technology,Dailain)

A study on relationship between molecular structure and chromatographic retention values for realizing the identification and prediction of chromatographic retention values has been the major task of chromatographic thermodynamics. In 1964, Prof. Lu Peizhang established the relationship between molecular structural parameters and chromatographic retention values in gas-liquid chromatography by using statistical thermodynamical methods. Based on his work, some Chinese researchers have performed the prediction of chromatographic retention values.

关键词： Chromatographic retention values Chromatographic thermodynamics gas-liquid chromatography

基于长短时记忆网络的顶托影响下干支流洪水模拟研究

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水电能源科学 2024年第10期42卷 24-28页

作者：张艺佳吴剑彭勇丁勇郭家园大连理工大学建设工程学院辽宁大连116024 河北省衡水水文勘测研究中心河北衡水053000 大连理工大学化工海洋与生命学院辽宁盘锦124221 大连理工大学宁波研究院浙江宁波315000 水利部松辽水利委员会吉林长春130000

干支流交汇河段易发生洪水相互顶托现象,造成河段持续处于高水位,极大地增加了洪水模拟的难度。以三岔河口上游受顶托影响显著的嫩江大赉站为研究对象,首先分析识别大赉站历史洪水的顶托关系,并根据洪水顶托关系划分洪水类型;在此基础... 详细信息

干支流交汇河段易发生洪水相互顶托现象,造成河段持续处于高水位,极大地增加了洪水模拟的难度。以三岔河口上游受顶托影响显著的嫩江大赉站为研究对象,首先分析识别大赉站历史洪水的顶托关系,并根据洪水顶托关系划分洪水类型;在此基础上采用长短时记忆(LSTM)网络建立洪水模拟模型,评估模型的模拟效果。结果表明,采用流量、水位变化率可以较为有效地识别洪水顶托关系,历史上嫩江受到洪水顶托影响的年份较多;LSTM模型输入中仅考虑上游来水对大赉站流量模拟精度影响相对较小,而对水位模拟精度影响显著;考虑顶托影响的LSTM模型对大赉站的流量、水位模拟精度均较高。可见,所构建的LSTM模型能较准确地模拟出顶托影响下的大赉站洪水过程,为类似流域或站点的洪水模拟提供参考。

关键词：机器学习长短时记忆网络洪水顶托洪水模拟

Partially biobased polymers:The synthesis of polysilylethers via dehydrocoupling catalyzed by an anionic iridium complex

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Chinese chemical Letters 2020年第5期31卷 1197-1200页

作者： Xiao-yong Zhai Xiao-Qing wang Yi-Xuan ding yong-Gui Zhou State Key Laboratory of Catalysis Dalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023China University of Chinese Academy of Sciences Beijing 100049China

Partially biobased polysilylethers(PSEs)are synthesized via dehydrocoupling polymerization catalyzed by an anionic iridium *** types(AB type or AA and BB type)of monomers are *** acid(LA)and succinic acid(SA)have been ranked within the top 10 chemicals derived from *** type monomers(diols)derived from LA and SA have been applied to the synthesis of *** polymerization reactions employ an air-stable anionic iridium complex bearing a functional bipyridonate ligand as *** to high yields of polymers with number-average molecular weights(Mn)up to 4.38×104 were obtained.A possible catalytic cycle via an Ir-H species is *** on the results of kinetic experiments,apparent activation energy of polymerization in the tempe rature range of 0-10℃is about 38.6 kJ/*** PSEs synthesized from AA and BB type monomers possess good thermal stability(T5=418℃to 437℃)and low glass-transition temperature(Tg=49.6℃).

关键词： Biodegradable polymers Polysilylethers Iridium catalysis Dehydrocoupling polymerization Levulinic acid

Construction of three stereocenters via hydrogenative desymmetrization of 2,2,5-trisubstituted cyclohexane-1,3-diones

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Science China Chemistry 2021年第2期64卷 232-237页

作者： Yi-Xuan ding Zhou-Hao Zhu Han wang Chang-Bin Yu yong-Gui Zhou State Key Laboratory of Catalysis Dalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023China University of Chinese Academy of Sciences Beijing 100049China State Key Laboratory of Organometallic Chemistry Shanghai Institute of Organic ChemistryChinese Academy of SciencesShanghai 200032China

A Ru-catalyzed hydrogenative desymmetrization of 2,2,5-trisubstituted cyclohexane-1,3-diones was developed for construction of three stereocenters including two coherent and discontiguous chiral centers and a chiral quaternary carbon with excellent enantio-and *** synthesis of four stereoisomers could be conducted with high *** desymmetrization could be achieved at gram scale without loss of reactivity and optical purity,and a formal synthesis of bioactive molecule(-)-isocelorbicol was completed.

关键词： desymmetrization hydrogenation 1,3-cyclohexanediones three stereocenters chiral quaternary carbon

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液化气深度脱硫及碱渣零排技术应用

当代化工 2024年第1期53卷 205-209页

作者：丁泳之刘帅中科(广东)炼化有限公司广东湛江524012 中石化(大连)石油化工研究院有限公司辽宁大连116045

为了打造超清洁生产的城市型绿色企业,某公司加大源头减排的清洁生产工作,采用碱渣零排技术对原碳四脱硫醇系统进行升级提效,在降低碳四原料总硫的基础上通过碱渣零排技术,可实现“用碱不排渣”的清洁化生产。对液化气深度脱硫及碱渣零... 详细信息

为了打造超清洁生产的城市型绿色企业,某公司加大源头减排的清洁生产工作,采用碱渣零排技术对原碳四脱硫醇系统进行升级提效,在降低碳四原料总硫的基础上通过碱渣零排技术,可实现“用碱不排渣”的清洁化生产。对液化气深度脱硫及碱渣零排技术运行进行了讲述,介绍了应用情况,同时提出改进措施及操作建议。

关键词：液化气 C_(4) 脱硫醇清洁化

Multifunctional indaceno[1,2-b:5,6-b']dithiophene chloride molecule for stable high-efficiency perovskite solar cells

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Science China Chemistry 2023年第1期66卷 185-194页

作者： yong Li Qian Zhang Lidan Liu Dapeng wang Zhike Liu Ningyi Yuan Jianning ding Qiang wang Shengzhong(Frank) Liu Key Laboratory of Applied Surface and Colloid Chemistry Ministry of EducationShaanxi Key Laboratory for Advanced Energy DevicesShaanxi Engineering Lab for Advanced Energy TechnologySchool of Materials Science and EngineeringShaanxi Normal UniversityXi'an 710119China dalian National Laboratory for Clean Energy iChEMDalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023China School of Materials Science and Engineering Jiangsu Collaborative Innovation Center of Photovoltaic Science and Engineering Jiangsu Province Cultivation Base for State Key Laboratory of Photovoltaic Science and Technology Changzhou UniversityChangzhou 213164China

The additive strategy has emerged as an effective approach to improving the performance of perovskite solar cells(PSCs).Herein,a small acceptor-donor-acceptor type molecule indaceno[1,2-b:5,6-b’]dithiophene chloride(IDT-Cl)is designed and synthesized to advance both the efficiency and stability of FA_(0.85)MA_(0.15)PbI_(3)*** the IDT-Cl molecule,the S-group with high electron density promotes chemical bonding with the lead cations in the perovskite,resulting in enlarged grain size and smoother surface topography of the perovskite *** addition,the undercoordinated lead ions in the perovskite layer may be passivated by the carbonyl group in the 5-chloroindolin-2-one unit,thereby reducing the number of nonradiative recombination ***,the IDT-Cl adjusts the energy level mismatch between the perovskite and two adjacent carrier transport layers,leading to easy charge *** the multifunctional effect of the IDT-Cl molecule,the modified device yields a high power conversion efficiency(PCE)of 24.46%,8.8%higher than that of the control PSC(22.48%).More importantly,the hydrophobic alkyl side-chain of the IDT-Cl molecule further ensures enhanced humidity stability of the perovskite film and environmental,thermal,and light stabilities of the PSC devices.

关键词： non-fullerene multifunctional perovskite solar cell additive defect passivation

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费托合成反应动力学研究的回顾与展望

天然气化工—C1化学与化工 2001年第3期26卷 42-46页

作者：马文平丁云杰李永旺林励吾中国科学院大连化学物理研究所天然气化工与应用催化研究室大连116023 中国科学院山西煤炭化学研究所煤转化国家重点实验室太原030001

综述了费托合成反应动力学 /模型的研究概况 ,并根据费托合成反应动力学的最新研究进展和目前煤 /天然气通过费托合成的优化利用途径而逐步走向工程化的需求。

关键词：费托合成反应动力学煤天然气反应机理液化

Reversal of diastereoselectivity in palladium-arene interaction directed hydrogenative desymmetrization of 1,3-diketones

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Science China Chemistry 2020年第2期63卷 215-221页

作者： Chang-Bin Yul Heng-ding wangl Bo Song Hong-Qiang Shen Hong-Jun Fan yong-Gui Zhou State Key Laboratory of Catalysis Dalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023China University of Chinese Academy of Sciences Beijing 100049China

For the metal-catalyzed asymmetric hydrogenation of α-substituted ketones,cis reductive products are generally obtained due to steric hindrance of ***,an unprecedented trans reductive products were observed in palladium-catalyzed hydrogenative desymmetrization of cyclic and acyclic 1,3-diketones,providing the chiral trans β-hydroxy ketones with two adjacent stereocenters including one α-tertiary or quaternary stereocenter with high enantioselectivity and *** studies and DFT calculations suggested that the rarely observed diastereoselectivity reversal is ascribed to the charge-charge interaction between the palladium and aromatic ring of the substrate,which could not only result in the reversal of the diastereoselectivity,but also improve the reactivity.

关键词： palladium-arene interaction hydrogenative desymmetrization 1,3-diketones