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Evaluation of the individual hydrogen bonding energies in N-methylacetamide chains

Science China Chemistry 2010年第8期53卷 1754-1761页

作者： XiaoNan Jiang ChangSheng wang School of Chemistry and Chemical Engineering Liaoning Normal University Dalian 116029 China

The individual hydrogen bonding energies in N-methylacetamide chains were evaluated at the MP2/6-31+G** level including BSSE correction and at the B3LYP/6-311++G(3df,2pd) level including BSSE and van der Waals *** calculation results indicate that compared with MP2 results,B3LYP calculations without van der Waals correction underestimate the individual hydrogen bonding energies about 5.4 kJ m ol-1 for both the terminal and central hydrogen bonds,whereas B3LYP calculations with van der Waals correction produce almost the same individual hydrogen bonding energies as MP2 does for those terminal hydrogen bonds,but still underestimate the individual hydrogen bonding energies about 2.5 kJ mol-1 for the hydrogen bonds near the *** calculation results show that the individual hydrogen bonding energy becomes more negative (more attractive) as the chain becomes longer and that the hydrogen bonds close to the interior of the chain are stronger than those near the *** weakest individual hydrogen bonding energy is about-29.0 kJ m ol-1 found in the dimer,whereas with the growth of the N-methylacetamide chain the individual hydrogen bonding energy was estimated to be as large as-62.5 kJ mol-1 found in the N-methylacetamide decamer,showing that there is a significant hydrogen bond cooperative effect in N-methylacetamide *** natural bond orbital analysis indicates that a stronger hydrogen bond corresponds to a larger positive charge for the H atom and a larger negative charge for the O atom in the N-H···O=C bond,corresponds to a stronger second-order stabilization energy between the oxygen lone pair and the N-H antibonding orbital,and corresponds to more charge transfer between the hydrogen bonded donor and acceptor molecules.

关键词： N-methylacetamide chain the individual hydrogen bonding energy hydrogen bond cooperativity

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Controlling exciton-exciton annihilation in WSe_(2) bilayers via interlayer twist

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Nano Research 2022年第5期15卷 4661-4667页

作者： Yuzhong Chen Bichuan Cao Cheng Sun Zedong wang Hongzhi Zhou Linjun wang Haiming Zhu Key Laboratory of Excited-State Materials of Zhejiang Province Department of ChemistryZhejiang UniversityHangzhou 310027China

The twist angle between two van der Waals coupled monolayers has emerged as a new and powerful degree of freedom for engineering physical properties of semiconductor homo-and *** the interlayer twist has shown prominent effect on electronic and optical properties of transition metal dichalcogenide(TMD)bilayers,it remains unclear how it could be used to manipulate the exciton dynamics,especially exciton-exciton annihilation(EEA)process which is the dominant energy loss channel in TMDs under moderate to high exciton density due to strong Coulomb ***,we show that the twist angle in TMD bilayers can act as an effective knob to control the EEA ***,EEA rate constant increases from 1° twisted WSe_(2) bilayers(0.026 cm^(2)/s)by more than twice to 32° twisted bilayers(0.053 cm2/s)and then drops again in 60° twisted bilayers(0.019 cm^(2)/s).This twist-angle dependence can be attributed to the energy difference between indirect and direct excitons arising from the interlayer *** work opens up the possibility of artificially managing the exciton dynamics in TMD materials for optoelectronic applications via interlayer twist angle.

关键词： two-dimensional bilayer twist angle transient absorption exciton-exciton annihilation interlayer coupling

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A Consistent Fourth-Order Compact Finite Difference Scheme for Solving Vorticity-Stream Function Form of Incompressible Navier-Stokes Equations

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Numerical Mathematics(Theory,Methods and Applications) 2019年第1期12卷 312-330页

作者： Tao wang Tiegang Liu School of Mathematicsand SystemsScience Beihang UniversityBeijing 100191China School of Mathematics and Information Science North Minzu UniversityYinchuan 750021China

The inconsistent accuracy and truncation error in the treatment of boundary usually leads to performance defects,such as decreased accuracy and even numerical instability,of the entire computational method,especially for higher order *** this work,we construct a consistent fourth-order compact finite difference scheme for solving two-dimensional incompressible Navier-Stokes(N-S)*** the pro-posed method,the main truncation error term of the boundary scheme is kept the same as that of the interior compact finite difference *** such a feature,the nu-merical stability and accuracy of the entire computation can be maintained the same as the interior compact finite difference *** examples show the effec-tiveness and accuracy of the present consistent compact high order scheme in L^(∞).Its application to two dimensional lid-driven cavity flow problem further exhibits that un-der the same condition,the computed solution with the present scheme is much close to the benchmark in comparison to those from the 4^(th)order explicit *** compact finite difference method equipped with the present consistent boundary technique im-proves much the stability of the whole computation and shows its potential application to incompressible flow of high Reynolds number.

关键词： Navier-Stokes equations compact finite difference scheme consistent boundary scheme Lid-driven cavity

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狂言流言,巫言莫言——《生死疲劳》与《巫言》所引起的反思

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江苏大学学报（社会科学版） 2009年第3期11卷 1-10页

作者：王德威哈佛大学东亚语言及文明系

莫言的《生死疲劳》与朱天文的《巫言》在2008年"红楼梦奖:世界华文长篇小说奖"终审时对决。《生死疲劳》从人畜六道轮回的观点,写半个世纪中共政权下的农村变化;《巫言》则由一位深情却孤意的女性娓娓诉说生活与创作经验。决选的结果... 详细信息

莫言的《生死疲劳》与朱天文的《巫言》在2008年"红楼梦奖:世界华文长篇小说奖"终审时对决。《生死疲劳》从人畜六道轮回的观点,写半个世纪中共政权下的农村变化;《巫言》则由一位深情却孤意的女性娓娓诉说生活与创作经验。决选的结果由《生死疲劳》胜出,《巫言》的成就其实可以等量齐观。若以1949年标志中国"当代"文学的开端,至2008年适为一甲子的结束,60年来的中文小说精彩纷呈,以朱天文和莫言各自所占的位置为探索的起点,可以探讨他们各自所承袭的写作渊源和所延伸的谱系,并且进一步借着这两位作家的创作,反思当代中文小说的来龙去脉。

关键词：莫言朱天文《生死疲劳》《巫言》

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史诗时代的抒情声音——江文也的音乐与诗歌

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杭州师范大学学报（社会科学版） 2011年第1期33卷 1-12页

作者：王德威哈佛大学东亚系美国波士顿02138

江文也的音乐、诗歌和乐论应当被视为20世纪三四十年代中国抒情话语的一部分。他构想现代音乐与诗歌的方式引导我们思考一个更为宽广的课题,即抒情想象与现代性的关联。一般认为,20世纪中国文学的典范不外革命与启蒙,而抒情话语要么被... 详细信息

江文也的音乐、诗歌和乐论应当被视为20世纪三四十年代中国抒情话语的一部分。他构想现代音乐与诗歌的方式引导我们思考一个更为宽广的课题,即抒情想象与现代性的关联。一般认为,20世纪中国文学的典范不外革命与启蒙,而抒情话语要么被贬为与时代的历史意识无关,要么被看作现实主义律令以外的小道。这是一种误解。无论作为一种文类特征,一种美学观照,一种生活风格,甚至一种政治立场,抒情都应当被看作是中国文人和知识分子面对现实、建构另类现代视野的重要资源。

关键词：抒情现代性革命江文也

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High-performance violet phosphorus photodetectors with van der Waals-assisted contacts

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Science China(Physics,Mechanics & Astronomy) 2023年第9期66卷 86-93页

作者： Hao wang Shuling Liu Peng wang Haonan Ge Yue Chen Hailu wang Tengfei Xu Jiaxiang Guo Yuanchen Zou Wenrui Wei Ruiqi Jiang Fang wang Piotr Martyniuk Jinshui Miao Weida Hu State Key Laboratory of Infrared Physics Shanghai Institute of Technical PhysicsChinese Academy of SciencesShanghai 200083China School of Physics and Photoelectric Engineering Hangzhou Institute for Advanced StudyUniversity of Chinese Academy of SciencesHangzhou 310024China Institute of Applied Physics Military University of TechnologyWarsaw 00-908Poland Frontier Institute of Chip and System Fudan UniversityShanghai 200438China School of Microelectronics Shanghai UniversityShanghai 201800China University of Chinese Academy of Sciences Beijing 100049China

Black phosphorus(BP) as a narrow-bandgap two-dimensional semiconductor material has been extensively studied. And the allotrope violet phosphorus(VP) exhibits wide bandgap properties extending the application in the visible light band. However,due to the Schottky barrier of metal/semiconductor contacts(M/S), further device application of VP is limited. Here, VP-based photodetectors with van der Waals-assisted contact were demonstrated, achieving quasi-Ohmic M/S contacts. The output characteristics in dark conditions show ultralow current at the pA level. And the device exhibits a high current on-off ratio of 10~5and a fast response speed of 8.4 ms. Furthermore, we constructed the first allotropic photodetector based on BP and VP heterojunction. The device maintains ultralow dark current(~ pA) while exhibiting faster carrier transport, with 945 μs response time and polarization detection capability. These results offer an effective way to study the optoelectronic properties of VP and promote the study of allotropic heterojunction devices.

关键词： violet phosphorus two-dimensional materials photodetectors Ohmic contact allotropic heterojunction

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α-In_(2)Se_(3)/PtX_(2)(X=S,Se,Te)异质结电子结构调控研究

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大连理工大学学报 2025年第1期65卷 1-9页

作者：韩善成李京杰王楠黄火林郝松大连理工大学光电工程与仪器科学学院辽宁大连116024 大连理工大学集成电路学院辽宁大连116024

二维范德华异质结因其无悬挂键界面和无应力失配等特性,在后摩尔时代的高性能电子学领域具备广泛的应用潜力.然而,当前二维范德华异质结的原子结构固定,限制了对其物性的动态调控.因此提出了利用二维铁电材料α-In_(2)Se_(3)与PtX_(2)(X... 详细信息

二维范德华异质结因其无悬挂键界面和无应力失配等特性,在后摩尔时代的高性能电子学领域具备广泛的应用潜力.然而,当前二维范德华异质结的原子结构固定,限制了对其物性的动态调控.因此提出了利用二维铁电材料α-In_(2)Se_(3)与PtX_(2)(X=S,Se,Te)构建范德华异质结,并通过电场调控α-In_(2)Se_(3)的结构,从而实现对α-In_(2)Se_(3)/PtX_(2)原子结构和电子结构的动态调控.基于第一性原理计算,异质结带隙取决于α-In_(2)Se_(3)的极化方向,α-In_(2)Se_(3)/PtS2、α-In_(2)Se_(3)/PtSe_(2)、α-In_(2)Se_(3)/PtTe_(2)带隙分别为1.25/1.66 eV、0.74/1.34 eV、0.34/0.77 eV.此外,α-In_(2)Se_(3)的极化翻转可调控异质结的能带排列类型,α-In_(2)Se_(3)/PtS2能带排列从Ⅰ型变为Ⅱ型;α-In_(2)Se_(3)/PtSe_(2)能带排列虽保持Ⅱ型,但能带相对位置发生变化;α-In_(2)Se_(3)/PtTe_(2)能带排列从Ⅱ型变为Ⅰ型.通过二维铁电材料的极化翻转来调控二维范德华异质结电子性质的技术路径,为未来智能电子器件的实现提供了潜在的技术方案.

关键词：铁电性二维材料范德华异质结电子结构

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High-performance broadband flexible photodetector based on Gd_(3)Fe_(5)O_(12)-assisted double van der Waals heterojunctions

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Microsystems & Nanoengineering 2023年第4期9卷 157-165页

作者： Ze Zhang Peirui Ji Shaobo Li Fei wang Shengmei He Yiwei Cheng Shuhao Zhao Kaili Li Xiaomin wang Yu wang Shuming Yang State Key Laboratory for Manufacturing Systems Engineering Xi’an Jiaotong UniversityXi’anShaanxiChina MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter Xi’an Jiaotong UniversityXi’anShaanxiChina

Flexible photodetectors are fundamental components for developing wearable systems,which can be widely used for medical detection,environmental monitoring and flexible ***,compared with 3D materials,lowdimensional materials have degraded performance,a key challenge for current flexible ***,a highperformance broadband photodetector has been proposed and *** combining the high mobility of graphene(Gr)with the strong light–matter interactions of single-walled carbon nanotubes(SWCNTs)and molybdenum disulfide(MoS2),the flexible photodetector exhibits a greatly improved photoresponse covering the visible to near-infrared ***,a thin layer of gadolinium iron garnet(Gd_(3)Fe_(5)O_(12),GdlG)film is introduced to improve the interface of the double van der Waals heterojunctions to reduce the dark *** SWCNT/GdIG/Gr/GdIG/MoS2 flexible photodetector exhibits a high photoresponsivity of 47.375 A/W and a high detectivity of 1.952×1012 Jones at 450 nm,a high photoresponsivity of 109.311 A/W and a high detectivity of 4.504×10^(12) Jones at 1080 nm,and good mechanical stability at room *** work demonstrates the good capacity of GdIGassisted double van der Waals heterojunctions on flexible substrates and provides a new solution for constructing high-performance flexible photodetectors.

关键词： performance double constructing

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Understanding auditory neuropathy spectrum disorder： a system- atic review in transgenic mouse models

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Science China(Life Sciences) 2016年第5期59卷 480-486页

作者： Li wang Jing Guan Hongyang wang Lan Lan Qiujing Zhang Liang Zong Wan Du Wenping Xiong Fengjiao Li Kaiwen Wu Dayong wang Qiuju wang Institute of Otolaryngology Chinese PLA General Hospital Medical School of Chinese PLA Beijing 100853 China Medical College Nankai University Tianjin 300071 China

Auditory neuropathy spectrum disorder is a unique group of hearing dysfunctions characterized by preserved outer hair cell function and abnormal neural conduction of the auditory pathway. However, the pathogenic mechanism underlying this disorder is not clear. We therefore performed a systematic review of genetic mouse models with different gene mutations to provide a valuable tool for better understanding of the process and the possible molecular mechanisms. Of the 18 articles retrieved, nine met the required criteria. All biochemical, histological, and electrophysiological results were recorded for each of the mouse models, as was the transgenic technology. This review provides a summary of different mouse models that may play an important role in the diagnosis and management of auditory neuropathy spectrum disorder in the future.

关键词： auditory neuropathy spectrum disorder transgenic mouse models pathogenesis systematic review

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Construction and application of the polyelectrolyte-based sequential artificial light-harvesting system

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Chinese Chemical Letters 2023年第8期34卷 162-166页

作者： Chaoqun Ma Ning Han Ying wang Hui Liu Rongzhou wang Shengsheng Yu Yuebo wang Lingbao Xing School of Chemistry and Chemical Engineering Shandong University of TechnologyZibo 255000China Department of Materials Engineering KU LeuvenLeuven 3001Belgium

In this work,we have designed and synthesized a cyano-substituted p-phenylenevinylene derivative(PPTA),which can self-assemble into positively charged nanoparticles in an aqueous solution with a deep green *** anionic polyelectrolyte material guar gum modified by carboxylic acid(GP5A)was chosen to build an artificial light-harvesting system(LHS)through self-assembly with PPTA,in which two acceptors Eosin Y(EY)and Nile red(NiR)were loaded into the PPTA-GP5A assemblies through electrostatic interaction and Van der Waals *** adjusting the molar ratio of PPTA-GP5A/EY at 1:0.004,the one-step artificial LHS can exhibit high energy transfer efficiency(Φ_(ET))(38.9%)and antenna effect(AE)(4.6).Subsequently,with the addition of NiR,theΦET and AE of the two-step sequential artificial LHS were calculated to be 71.9%and 13.5,***,the two-step artificial LHS constructed by the polyelectrolyte material GP5A can be used as a nanoreactor to photocatalyst alkylation of C-H bonds of phenyl vinyl sulfone(PVS)and tetrahydrofuran(THF)in water with a yield of 42%.Therefore,we have constructed an artificial LHS with two-step energy transfer based on polyelectrolytes through the electrostatic interaction to improve energy transfer efficiency,which can also be used as a nanoreactor for photocatalysis.

关键词： Supramolecular assembly Light-harvesting system Electrostatic interaction Energy transfer Photocatalysis

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