070304-物理化学

锕系计算化学，核能放射化学

2008-09--2009-09   University of Georgia   联合培养博士生
2006-09--2010-03   北京理工大学   理学博士
2003-09--2006-06   曲阜师范大学   理学硕士
1999-09--2003-06   曲阜师范大学   理学学士

   

2016-12~现在, 中国科学院高能物理研究所, 副研究员
2013-06~2016-11,中国科学院高能物理研究所, 助理研究员
2010-06~2013-06,清华大学, 博士后
2008-09~2009-09,University of Georgia, 联合培养博士生
2006-09~2010-03,北京理工大学, 理学博士
2003-09~2006-06,曲阜师范大学, 理学硕士
1999-09~2003-06,曲阜师范大学, 理学学士

   

（1） Theoretical Insights into Modification of Nitrogen-Donor Ligands to Improve Performance on Am(III)/Eu(III) Separation, Inorganic Chemistry, 2021, 第 3 作者
（2） High-Temperature Synthesis of a Uranyl Peroxo Complex Facilitated by Hydrothermally In Situ Formed Organic Peroxide, Inorganic Chemistry, 2021, 第 2 作者
（3） Theoretical study on structures of Am(III) carbonate complexes, Journal of Radioanalytical and Nuclear Chemistry, 2020, 第 2 作者
（4） Theoretical Study on the Reduction Mechanism of Np(VI) by Hydrazine Derivatives, The Journal of Physical Chemistry A, 2020, 第 2 作者
（5） Rational Design of a Tripodal Ligand for U(IV): Synthesis and Characterization of a U–Cl Species and Insights into Its Reactivity, Organometallics, 2020, 第 3 作者
（6） Theoretical Prediction of the Potential Applications of Phenanthroline Derivatives in Separation of Transplutonium Elements, Inorganic Chemistry, 2020, 第 3 作者
（7） Actinide Separation Inspired by Self-Assembled Metal–Polyphenolic Nanocages, Journal of the American Chemical Society, 2020, 第 3 作者
（8） Theoretical insights into selective separation of trivalent actinide and lanthanide by ester and amide ligands based on phenanthroline skeleton, Dalton Transactions, 2020, 第 2 作者
（9） Electronic structures and bonding of the actinide halides An(TRENTIPS)X (An = Th–Pu; X = F–I): a theoretical perspective, Dalton Transactions, 2020, 第 1 作者
（10） Theoretical Insights into the Actinide–Silicon Bonding Nature and Stability of a Series of Actinide Complexes with Different Oxidation States, Organometallics, 2020, 第 3 作者
（11） Actinide-Heterobimetal Compounds, Progress in Chemistry, 2019, 第 2 作者
（12） Theoretical Insights into the Selective Extraction of Americium(III) over Europium(III) with Dithioamide-Based Ligands, Inorganic Chemistry, 2019, 第 2 作者
（13） Interactions of phosphorylated cyclohexapeptides with uranyl: insights from experiments and theoretical calculations, Journal of Radioanalytical and Nuclear Chemistry, 2019, 第 2 作者
（14） Highly selective extraction of Pu (IV) and Am (III) by N,N′-diethyl-N,N′-ditolyl-2,9-diamide-1,10-phenanthroline ligand: An experimental and theoretical study, Sep. Purif. Technol., 2019, 第 2 作者
（15） A Theoretical Study on Divalent Heavier Group 14 Complexes as Promising Donor Ligands for Building Uranium–Metal Bonds, Organometallics, 2019, 第 2 作者
（16） In situ nitroso formation induced structural diversity of uranyl coordination polymers, Inorganic Chemistry Frontiers, 2019, 第 3 作者
（17） Insight into the Extraction Mechanism of Americium(III) over Europium(III) with Pyridylpyrazole: A Relativistic Quantum Chemistry Study, The Journal of Physical Chemistry A, 2018, 第 2 作者
（18） Understanding Am3+/Cm3+ separation with H4TPAEN and its hydrophilic derivatives: a quantum chemical study, Physical Chemistry Chemical Physics, 2018, 第 3 作者
（19） Uncovering the impact of 'capsule' shaped amine-type ligands on Am(iii)/Eu(iii) separation, Physical Chemistry Chemical Physics, 2018, 第 3 作者
（20） Simultaneous elimination of cationic uranium(vi) and anionic rhenium(vii) by graphene oxide-poly(ethyleneimine) macrostructures: a batch, XPS, EXAFS, and DFT combined study, Environmental Science-Nano, 2018, 第 3 作者
（21） A neptunium(v)-mediated interwoven transuranium-rotaxane network incorporating a mechanically interlocked [c2]daisy chain unit, Chem. Commun., 2018, 第 3 作者
（22） Theoretical Study on Unsupported Uranium–Metal Bonding in Uranium–Group 8 Complexes, Organometallics, 2018, 第 2 作者
（23） Theoretical Insights into Preorganized Pyridylpyrazole-Based Ligands toward the Separation of Am(III)/Eu(III), Inorg. Chem., 2018, 第 2 作者
（24） Insight into the nature of M–C bonding in the lanthanide/actinide-biscarbene complexes: a theoretical perspective, Dalton Trans., 2018, 第 1 作者
（25） Theoretically unraveling the separation of Am(iii)/Eu(iii): insights from mixed N,O-donor ligands with variations of central heterocyclic moieties, Phys. Chem. Chem. Phys., 2017, 第 1 作者
（26） Heteroaggregation behavior of graphene oxide on Zr-based metal-organic frameworks in aqueous solutions: a combined experimental and theoretical study, Journal of Materials Chemistry A, 2017, 第 2 作者
（27） Novel Viologen Derivative Based Uranyl Coordination Polymers Featuring Photochromic Behaviors, Chemistry – A European Journal, 2017, 第 2 作者
（28） Binuclear trivalent and tetravalent uranium halides and cyanides supported by cyclooctatetraene ligands, Radiochimica Acta, 2017, 第 2 作者
（29） New Insight into GO, Cadmium(II), Phosphate Interaction and Its Role in GO Colloidal Behavior, Environ. Sci. Technol, 2016, 第 2 作者
（30） Interactions between uranium(VI) and phosphopeptide: experimental and theoretical investigations, Dalton Trans, 2016, 第 1 作者
（31） Paving the Way for the Synthesis of a Series of Divalent Actinide Complexes: a Theoretical Perspective, DaltonTrans., 2016, 第 1 作者
（32） New insights into the selectivity of four 1,10-phenanthroline-derived ligands toward the separation of trivalent actinides and lanthanides: a DFT based comparison study, Dalton Trans, 2016, 第 2 作者
（33） Silver Ion-Mediated Heterometallic Three-Fold Interpenetrating Uranyl–Organic Framework, Inorg. Chem., 2015, 第 2 作者
（34） Terminal U≡E (E = N, P, As, Sb, and Bi) Bonds in Uranium Complexes: ATheoretical Perspective, J. Phys. Chem. A, 2015, 第 1 作者
（35） Theoretical Insights into the Separation of Am(III) over Eu(III) with PhenBHPPA, Dalton Trans., 2015, 第 2 作者
（36） Probing the Influence of Phosphonate Bonding Modes to Uranium(VI) on Structural Topology and Stability: A Complementary Experimental and Computational Investigation, Inorg. Chem., 2015, 第 2 作者
（37） Theoretical Investigation on Multiple Bonds inTerminal Actinide Nitride Complexes, Inorg. Chem., 2014, 第 1 作者
（38） Understanding the Interactions of Neptunium and Plutonium Ions with Graphene Oxide: Scalar-Relativistic DFT Investigations, J. Phys. Chem. A, 2014, 第 1 作者
（39） Quantum Chemistry Study of Uranium(VI), Neptunium(V), and Plutonium(IV,VI) Complexes with Preorganized Tetradentate Phenanthrolineamide Ligands, Inorg.Chem, 2014, 第 2 作者
（40） Understanding the Bonding Nature of Uranyl Ion and Functionalized Graphene: A Theoretical Study, J. Phys. Chem. A, 2014, 第 1 作者
（41） The first Case of an Actinide Polyrotaxane Incorporating Cucurbituril: a Unique 'Dragon-like' Twist Induced by a Specific Coordination Pattern of Uranium, Chem. Commun., 2014, 第 2 作者
（42） Aggregation induced blue-shifted emission – the molecular picture from a QM/MM study, Phys. Chem. Chem. Phys., 2014, 第 1 作者
（43） Theoretical Insights into the Aggregation Induced Emission by Hydrogen Bonding: A QM/MM Study, J. Phys. Chem. A, 2012, 第 1 作者
（44） Quantum Chemical Insights into the Aggregation Induced Emission Phenomena: A QM/MM Study for Pyrazine Derivatives, J. Comput. Chem., 2012, 第 1 作者

   

（ 1 ） 新型邻菲罗啉酰胺类配体的设计及其对放射性废液中锕系元素的提取研究, 负责人, 国家任务, 2015-01--2018-12
（ 2 ） 镧锕分离用BTPs/离子液体萃取体系的辐射效应研究, 参与, 国家任务, 2015-01--2018-12
（ 3 ） 基于Am/Cm分离的芳胺基多孔树脂制备及其模型化合物的动态辐解机理研究, 参与, 国家任务, 2017-01--2020-12
（ 4 ） 亲水性镧锕分离配体的设计制备及其在高放废液处理中的应用研究, 负责人, 国家任务, 2019-01--2022-12
（ 5 ） PUREX流程中镎、锝与还原剂的反应过程与机理研究, 负责人, 国家任务, 2019-01--2022-12
（ 6 ） 基于软硬原子结合与预组织策略的锕系配体设计与应用, 负责人, 国家任务, 2021-01--2024-12

（1）Theoretical design of ligands for the Am(III)/Eu(III) separation   第四届光电材料分子设计国际研讨会   2021-06-24
（2）锕系分离配体的理论设计与实践   第七届全国环境放射化学学术研讨会   2018-10-24
（3）LnIV/AnIV-C Bonding in Biscarbene Complexes: A Relativistic Theoretical Study   2018-09-09
（4）锕系碳卡宾键的理论研究   第三届中国锕系物理与化学学术交流会   2018-07-18
（5）Ln/An-C成键性质的理论研究   第八届全国物理无机化学学术会议   2018-04-13
（6）Unraveling the nature of the Am(III)/Eu(III) separation with three structurally similar ligands by changing of bridging groups   2017-12-02
（7）量子计算化学在高放废液处理中的应用   4. 第九届全国环境化学大会   2017-10-19
（8）高效镧锕分离配体的理论研究   第13届全国量子化学会议   2017-06-08