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| 1 | Neutron halo state of ^(13)C显示文摘Angular distributions for the 12C(d, p)13C transfer reactions have been measured at Ed = 11.8 MeV, and compared with those of the DWBA calculations. By means of this comparison, density distributions of the last neutron in the ground state and the first 1/2+ state of 13C are extracted. The properties of these states in 13C have also been studied in the framework of the nonlinear relativistic mean-field theory with NL-SH parameters. It is found that the first l/2+ state in 13C is a neutron halo state shown by both the experimental and theoretical density distributions of the last neutron. | LIU Zuhua, LIN Chengjian, LI Zhichang, ZHANG Huanqiao, CHEN Baoqiu, MA Zhongyu, WU Yuewei, LIU Jiancheng & LI ShuyuanChina Institute of Atomic Energy, Beijing 102413, China | 2001 | Chinese Science Bulletin2001，46，1： | 3 |
| 2 | Molecular dynamics study on BPTI aqueous solution by ABEEM/MM fluctuating charge model显示文摘Molecular dynamics simulation on BPTI (biovine pancreatic trypsin inhibitor) aqueous solution has been performed for the first time in terms of the atom-bond electronegativity equalization method fused with molecular mechanics (ABEEM/MM). The simulated parameters including ABEEM parameters and force field parameters have been tested. Some structural properties including root-mean-square deviations of atomic coordinates and radial distribution functions were studied by ABEEM/MM fluctuating charge method. The results demonstrate that this model can obtain reasonable structural properties compared with experimental crystal data. The radial distribution functions indicate that ABEEM/MM method can well embody the electrostatic polarizations between protein molecule and its surrounding solvent waters. | GUAN QingMei CUI BaoQiu ZHAO DongXia GONG LiDong YANG ZhongZhi | 2008 | Chinese Science Bulletin2008，53，8： | 2 |
| 3 | Improved BCS-type pairing for the relativistic mean-field theory显示文摘 | Hongfei Zhang Soojae Im Junqing Li Wei Zuo Zhongyu Ma Baoqiu Chen W. Scheid | 2006 | The European Physical Journal A2006，，3： | 1 |
| 4 | Two-dimensional conjugated N-rich covalent organic frameworks for superior sodium storage显示文摘Sodium-ion batteries(SIBs) are considered as a promising next-generation energy storage system. To achieve the large-scale application of SIBs, it is crucial to develop cost-effective anode materials with high Na-ion storage capacity. Herein twodimensional(2D) conjugated covalent organic frameworks(c COFs) with N-rich phthalocyanine(Pc) units fused via benzene moieties(named MPc-2D-c COFs) were explored as the SIBs anode materials. Electrochemical tests reveal their high reversible capacities of 538 and 342 m A h g^(-1) at 50 and 1000 m A g^(-1), respectively, good rate performance, and excellent stability,comparable to the state-of-the-art anode materials of SIBs, indicating their outstanding Na-ion storage performance. Ex situ Xray photoelectron and Fourier transform infrared spectroscopies together with theoretical calculations disclose the N atoms at the pore channels and conjugated pyrrole moieties of MPc-2D-c COFs provide abundant Na-ion storage sites. This, in cooperation with the enhanced electrical conductivity owing to the 2D conjugated structure, contributes to the outstanding Na-ion storage capacity of MPc-2D-c COFs. The present result is surely helpful for developing high-performance and cost-effective COFs as electroactive materials for SIBs. | Xiya Yang Yucheng Jin Baoqiu Yu Lei Gong Wenbo Liu Xiaolin Liu Xin Chen Kang Wang Jianzhuang Jiang | 2022 | Science China Chemistry2022，65，7： | 0 |
| 5 | Density Dependent Delta Pairing for Relativistic Mean Field Theory显示文摘 | LiJunqing Zhang Hongfei Zuo Wei Ma Zhongyu Chen Baoqiu | 2006 | 近代物理研究所和兰州重离子加速器实验室年报:英文版2006，，1： | 0 |
| 6 | Finite-Nuclei Properties in Relativistic Density Dependent Hartree-Fock Approach显示文摘Finite nucleus properties are studied in a relativistic effective interaction approach.Density dependent coupling constants of the meson-nucleon interactions are adopted to incorporate the relativistic Brueckner-Har tree-Fock results in the relativistic mean field(RMF)or relativistic Hartree-Fock(RHF)approach.It is desired to remedy the deficiencies of RMF and RHF without losing the features of the relativistic G matrix and at the same time retain the simplicity.The calculated ground state properties with the density dependent coupling constants are in a good agreement with experiment.The contribution of isovector mesons in RHF is discussed. | MA Zhongyu SHI Hualin CHEN Baoqiu | 1995 | Chinese Physics Letters1995，12，2： | 0 |
| 7 | Hydrothermal synthesis of polyimide-linked covalent organic frameworks towards ultrafast and stable cathodic sodium storage显示文摘Redox-active organic materials are capturing growing attention as cathode materials for sustainable alkaline metal ion batteries.However,the storage of Na+in most organic materials-based cathodes is plagued by low capacity and unsatisfying rate performance due to their low active site densities and limited exposed active sites.Herein,two polyimide-linked covalent organic frameworks(COFs),namely HATN-PD-COF and HATN-TAB-COF,were fabricated from hydrothermal synthesis with redoxactive triphenylene-2,3,6,7,10,11-hexacarboxylic acid and aromatic amines as starting materials.Powder X-ray diffraction and electron microscopy analysis indicate the high crystalline nature of these COFs with AA stacking configuration and orderly mesoporous tunnel.N_(2) sorption measurement discloses the permanent porosity of these two COFs with a Brunauer-EmmettTeller surface area of 1,065-1,200 m^(2)g^(-1)and a large pore size of 2.0-3.1 nm.Galvanostatic intermittent titration technique and density functional theory calculations reveal the facile Na+ion diffusion along the mesoporous tunnel of these COFs with a small energy barrier of 0.13-0.40 e V.In particular,the as-prepared COFs based-cathodes show ultrafast and stable Na+storage associated with their conjugated electronic structure,highly ordered mesoporous tunnel,robust structure,and redox-active C=N/C=O-rich framework as exemplified by the high reversible capacity of 210 m A h g^(-1)at 200 m A g^(-1),record-high rate performance(195 m A h g^(-1)at a high current density of 10,000 m A g^(-1))among organic electrodes and the capacity retention of nearly 91%at 10,000 m A g^(-1)after 7,000 cycles for HATN-PD-COF. | Xiya Yang Lei Gong Zhixin Liu Qianjun Zhi Baoqiu Yu Xin Chen Kang Wang Xiaofeng Li Dongdong Qi Jianzhuang Jiang | 2024 | Science China Chemistry2024，67，4： | 0 |
| 8 | Covalent organic frameworks with imine proton acceptors for efficient photocatalytic H_(2) production显示文摘Covalent organic frameworks (COFs) are promising crystalline materials for the light-driven hydrogen evolution reaction (HER) due to their tunable chemical structures and energy band gaps.However,deeply understanding corresponding mechanism is still challenging due to the multiple components and complicated electron transfer and reduction paths involved in photocatalytic HER.Here,the photocatalytic HER investigation has been reported based on three COFs catalysts,1–3,which are prepared by benzo[1,2-b:3,4-b’:5,6-b’]trithiophene-2,5,8-trialdehyde to react with C3symmetric triamines including tris(4-aminophenyl)amine,1,3,5-tris(4-aminophenyl)benzene,and (1,3,5-tris-(4-aminophenyl)triazine,respectively.As the isostructural hexagonal honeycomb-type COF of 2 and 3 reported previously,the crystal structure of 1 has been carefully correlated through the powder X-ray diffraction study with the help of theoretical simulations.1 shows highly porous framework with Brunauer-Emmett-Teller surface area of1249 m^(2)/g.Moreover,the introduction of ascorbic acid into the photocatalytic system of COFs achieves the hydrogen evolution rate of 3.75,12.16 and 20.2 mmol g^(–1)h^(–1) for 1–3,respectively.The important role of ascorbic acid in photocatalysis of HER is disclosed to protonate the imine linkages of these COFs,leading to the obvious absorbance red-shift and the improved charge separation efficiency together with reduced resistance in contrast to pristine materials according to the spectroscopic and electronic characterizations.These innovations of chemical and physical properties for these COFs are responsible for their excellent photocatalytic performance.These results elucidate that tiny modifications of COFs structures is able to greatly tune their band structures as well as catalytic properties,therefore providing an available approach for optimizing COFs functionalities. | Xiaolin Liu Xiya Yang Xu Ding Hailong Wang Wei Cao Yucheng Jin Baoqiu Yu Jianzhuang Jiang | 2023 | Chinese Chemical Letters2023，34，10： | 0 |
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