Chiral inorganic materials have attracted great attention owning to their unique physical and chemical properties attributed to the symmetry-breaking of their nanostructures.Chiral inorganic materials can be endowed w...Chiral inorganic materials have attracted great attention owning to their unique physical and chemical properties attributed to the symmetry-breaking of their nanostructures.Chiral inorganic materials can be endowed with chiral geometric configurations from achiral space group crystals through lattice twisting,screw dislocations or hierarchical self-assembled spiral morphologies,showing various characteristic chiral anisotropy.However,the multilevel chirality in chiral nickel molybdate films(CNMFs)remains to be elaborately excavated.In this paper,we report three hierarchical levels of chirality in CNMFs,spanning from the atomic to the micron scale,including primary helically coiled nanoflakes with twisted atomic crystal lattices,secondary helical stacking of layered nanoflakes,and tertiary asymmetric morphology between adjacent nanoparticles.Our findings may enrich the chiral self-assembly structural types and provide valuable insights for the comprehensive analysis path of hierarchical chiral crystals.展开更多
Two stereomers of bisadduct analogues of [6, 6]-phenyl-C71-butyric acid methyl ester （bisPC71BM） were synthesized and their geometrical structures with cis- or trans-configuration were identified by X-ray crystallog...Two stereomers of bisadduct analogues of [6, 6]-phenyl-C71-butyric acid methyl ester （bisPC71BM） were synthesized and their geometrical structures with cis- or trans-configuration were identified by X-ray crystallogra- phy. Although both of the bisPC71BM have similar spec- trometric and electrochemical properties, the spatial orientation of the two addition groups on C7o has impact on crystal packing and molecular assembly of bisPC71BM isomers and, in turn, photovoltaic performance in polymer solar cell based on poly（3-hexylthiophene） （P3HT） （with power conversion efficiency of 1.72 % and 1.84 % for the solar cells involving cis- and trans-bisPC71BM, respec- tively）. Although the power conversion efficiency remains to be improved, this work exemplifies that the photovoltaic properties of fullerene-based electron acceptors areinfluenced by aggregation of the stereomeric molecules and thus extends the guidelines for rational design of efficient fullerene acceptor.展开更多
The exit wave function including zero and high order Laue zones has been simulated by both multi-slice method and electron dynamic diffraction analytical expression. Coincidence of the simulations by these two methods...The exit wave function including zero and high order Laue zones has been simulated by both multi-slice method and electron dynamic diffraction analytical expression. Coincidence of the simulations by these two methods was achieved. The calculated results showed that the exit wave function highly dominated by zero order Laue zone, while high order ones modify the exit wave function to some extent depending on the situation. High order Laue zone effects become important for the following cases: sample consists of light elements, the thickness is very thin, lattice planar spacing perpendicular to the direction of the incident beam is large, and the electron beam has long wavelength. In these cases the exit wave function should be corrected by adding high order Laue zone effects. The analytical expression is effective and convenient for dealing with high order Laue zone effects.展开更多
Assuming that the wave function φ>=eη, the Schrodinger equation can be written as. Neglecting the last two terms, an analytical expression of electron dynamical diffraction was derived by Qibin YANG et al. In thi...Assuming that the wave function φ>=eη, the Schrodinger equation can be written as. Neglecting the last two terms, an analytical expression of electron dynamical diffraction was derived by Qibin YANG et al. In this paper, the analytical expression is modified by further considering thesecond-order differential term When the accelerating voltage is not very high, or the sample is not very thin, the reciprocal vector g is large, the modification of the second-order differential is necessary; otherwise it can be neglected.展开更多
The program package VEC （Visual computing in Electron Crystallography） has been revised such that （i） a program converting one-line symbols to two-line symbols of （3＋1）-dimensional superspace groups has been in...The program package VEC （Visual computing in Electron Crystallography） has been revised such that （i） a program converting one-line symbols to two-line symbols of （3＋1）-dimensional superspace groups has been incorporated into VEC so that the latter can interpret both kinds of symbols; （ii） a bug in calculating structure factors of onedimensionally incommensurate modulated crystals has been fixed. The correction has been verified by successfully matching the experimental electron microscopy image of an incommensurate crystal with a series of simulated images. The precompiled revised version of VEC and relevant materials are available on the Web at http：//cryst.iphy.ac.cn.展开更多
In this paper, a modified direct product method of scattering matrix （DPSM） was presented and the cal- culation formulawas derived as follows： φ（z）=∑n1/n!（Mz）nφ（O）and φ（z＋εj）=∑n1/n!（Mεj）nφ（z）,...In this paper, a modified direct product method of scattering matrix （DPSM） was presented and the cal- culation formulawas derived as follows： φ（z）=∑n1/n!（Mz）nφ（O）and φ（z＋εj）=∑n1/n!（Mεj）nφ（z）,whereM is the scattering matrix of which the dimension can be reduced by ＇Bethe potential method＇ drastically and therefore the calculation speed can be increased tremendously without losing accuracy very much. The results calculated with the DPSM method are in almost exact agreement with those calculated with BW method. However, the calculation speed for the modified DPSM method is approximately three times faster than that for the BW method. Furthermore, the DPSM is suitable for computing all types of ma- trices without requiring symmetry or conjugate symmetry.展开更多
THE photosystem Ⅱ light-harvesting chlorophyll a/b protein complex (LHC Ⅱ) is a kind of integral membrane protein complex in the thylakoid membranes of chloroplasts from higher plants and green algae, and its most i...THE photosystem Ⅱ light-harvesting chlorophyll a/b protein complex (LHC Ⅱ) is a kind of integral membrane protein complex in the thylakoid membranes of chloroplasts from higher plants and green algae, and its most important biological function is light harvesting and展开更多
The A/D type twin boundary in a Cu-Zn-Al shape memory alloy appears curved under TEM and shows irregularly serrated steps under HREM. Crystallographic analysis shows that the macroscopic curve results from non-self-ac...The A/D type twin boundary in a Cu-Zn-Al shape memory alloy appears curved under TEM and shows irregularly serrated steps under HREM. Crystallographic analysis shows that the macroscopic curve results from non-self-accommodation of the boundary, the deviation from exact twin orientation and a preferential orientation for lower boundary energy.展开更多
基金the funding support from the National Natural Science Foundation of China(Nos.21931008 and 22373074)Fundamental Research Funds for the Central Universities.
文摘Chiral inorganic materials have attracted great attention owning to their unique physical and chemical properties attributed to the symmetry-breaking of their nanostructures.Chiral inorganic materials can be endowed with chiral geometric configurations from achiral space group crystals through lattice twisting,screw dislocations or hierarchical self-assembled spiral morphologies,showing various characteristic chiral anisotropy.However,the multilevel chirality in chiral nickel molybdate films(CNMFs)remains to be elaborately excavated.In this paper,we report three hierarchical levels of chirality in CNMFs,spanning from the atomic to the micron scale,including primary helically coiled nanoflakes with twisted atomic crystal lattices,secondary helical stacking of layered nanoflakes,and tertiary asymmetric morphology between adjacent nanoparticles.Our findings may enrich the chiral self-assembly structural types and provide valuable insights for the comprehensive analysis path of hierarchical chiral crystals.
基金supported by the National Basic Research Program of China(2014CB845601)the National Natural Science Foundation of China(U1205111+3 种基金2139039051572231and51502252)the Fundamental Research Funds for the Central Universities(20720140512)
文摘Two stereomers of bisadduct analogues of [6, 6]-phenyl-C71-butyric acid methyl ester （bisPC71BM） were synthesized and their geometrical structures with cis- or trans-configuration were identified by X-ray crystallogra- phy. Although both of the bisPC71BM have similar spec- trometric and electrochemical properties, the spatial orientation of the two addition groups on C7o has impact on crystal packing and molecular assembly of bisPC71BM isomers and, in turn, photovoltaic performance in polymer solar cell based on poly（3-hexylthiophene） （P3HT） （with power conversion efficiency of 1.72 % and 1.84 % for the solar cells involving cis- and trans-bisPC71BM, respec- tively）. Although the power conversion efficiency remains to be improved, this work exemplifies that the photovoltaic properties of fullerene-based electron acceptors areinfluenced by aggregation of the stereomeric molecules and thus extends the guidelines for rational design of efficient fullerene acceptor.
基金National Natural Science Foundation of China(No.10374077)the Key Foundation of Education Department of Hunan Province 01A003the Scientific Fund of Education Department of Hunan Province 03C187
文摘The exit wave function including zero and high order Laue zones has been simulated by both multi-slice method and electron dynamic diffraction analytical expression. Coincidence of the simulations by these two methods was achieved. The calculated results showed that the exit wave function highly dominated by zero order Laue zone, while high order ones modify the exit wave function to some extent depending on the situation. High order Laue zone effects become important for the following cases: sample consists of light elements, the thickness is very thin, lattice planar spacing perpendicular to the direction of the incident beam is large, and the electron beam has long wavelength. In these cases the exit wave function should be corrected by adding high order Laue zone effects. The analytical expression is effective and convenient for dealing with high order Laue zone effects.
基金supported by the National Natural Science Foundation of China under the grant No.10074052Key Foundation of Education Department of Hunan Province No.01A003
文摘Assuming that the wave function φ>=eη, the Schrodinger equation can be written as. Neglecting the last two terms, an analytical expression of electron dynamical diffraction was derived by Qibin YANG et al. In this paper, the analytical expression is modified by further considering thesecond-order differential term When the accelerating voltage is not very high, or the sample is not very thin, the reciprocal vector g is large, the modification of the second-order differential is necessary; otherwise it can be neglected.
基金国家自然科学基金(批准号:21972136,21676262,21991091)中国科学院百人计划(批准号:Y706071202)+3 种基金中国科学院大连洁净能源创新研究院合作基金(批准号:DNL201908)中国科学院前沿科学重点研究计划(批准号:QYZDB-SSW-JSC040)VR(Swedish Research Council)Starting Grant(批准号:2017-05333)中法国际联合实验室-分子筛资助
基金Project supported by the National Basic Research Program of China (Grant No 2006CB601001)the National Natural Science Foundation of China (Grant No 50672124)
文摘The program package VEC （Visual computing in Electron Crystallography） has been revised such that （i） a program converting one-line symbols to two-line symbols of （3＋1）-dimensional superspace groups has been incorporated into VEC so that the latter can interpret both kinds of symbols; （ii） a bug in calculating structure factors of onedimensionally incommensurate modulated crystals has been fixed. The correction has been verified by successfully matching the experimental electron microscopy image of an incommensurate crystal with a series of simulated images. The precompiled revised version of VEC and relevant materials are available on the Web at http：//cryst.iphy.ac.cn.
基金supported by the National Natural Science Foundation of China (Grant Nos. 11274263 and 11274264)
文摘In this paper, a modified direct product method of scattering matrix （DPSM） was presented and the cal- culation formulawas derived as follows： φ（z）=∑n1/n!（Mz）nφ（O）and φ（z＋εj）=∑n1/n!（Mεj）nφ（z）,whereM is the scattering matrix of which the dimension can be reduced by ＇Bethe potential method＇ drastically and therefore the calculation speed can be increased tremendously without losing accuracy very much. The results calculated with the DPSM method are in almost exact agreement with those calculated with BW method. However, the calculation speed for the modified DPSM method is approximately three times faster than that for the BW method. Furthermore, the DPSM is suitable for computing all types of ma- trices without requiring symmetry or conjugate symmetry.
文摘THE photosystem Ⅱ light-harvesting chlorophyll a/b protein complex (LHC Ⅱ) is a kind of integral membrane protein complex in the thylakoid membranes of chloroplasts from higher plants and green algae, and its most important biological function is light harvesting and
文摘The A/D type twin boundary in a Cu-Zn-Al shape memory alloy appears curved under TEM and shows irregularly serrated steps under HREM. Crystallographic analysis shows that the macroscopic curve results from non-self-accommodation of the boundary, the deviation from exact twin orientation and a preferential orientation for lower boundary energy.
