DELOCALIZATION

作品数：42被引量：30H指数：3
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相关作者：翟华金李思殿更多>>
相关机构：山西大学更多>>
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Investigating the p-Ω interactions and correlation functions
《Science China(Physics,Mechanics & Astronomy)》2025年第3期112-123,共12页Ye Yan Qi Huang Youchang Yang Hongxia Huang Jialun Ping 
supported by the National Natural Science Foundation of China(Grant Nos.11675080,11775118,12305087,11535005,and 11865019);supported by the Postgraduate Research and Practice Innovation Program of Jiangsu Province(Grant No.KYCX23_1675);the Doctoral Dissertation Topic Funding Program(Grant No.YXXT23-027);supported by the Start-up Funds of Nanjing Normal University(Grant No.184080H201B20)。
Motivated by experimental measurements,we investigate the p-Ωcorrelation functions and interactions on the basis of a quark model.By solving the inverse scattering problem with channel coupling,we renormalize the cou...
关键词：correlation function p-Ωdibaryon quark delocalization color screening model 
Re-delocalization of localized d-electrons in VO_(2)(R)-VS_(4)hetero-structure enables high performance of rechargeable Mg-ion batteries
《Journal of Magnesium and Alloys》2024年第5期1830-1840,共11页Lijiao Zhou Chao Shen Xueyang Hou Zhao Fang Ting Jin Keyu Xie 
the financial support of this work by the National Natural Science Foundation of China(No.52034011);the Key R&D Program of Shanxi(No.2019ZDLGY04-05);the National Natural Science Foundation of Shaanxi(No.2019JLZ-01);the Fundamental Research Funds for the Central Universities(No.G2020KY05129);the Research Fund of the State Key Laboratory of Solidification Processing(NPU),China(No.2020-BJ-03)。
Rechargeable Mg-ion batteries(MIBs)have attracted much more attentions by virtue of the high capacity from the two electrons chemistry.However,the reversible Mg^(2+)diffusion in cathode materials is restricted by the ...
关键词：Mg-ion batteries Cathode Charge delocalization Electronic structure HETEROSTRUCTURE 
Author Correction:Delocalization of dark and bright excitons in flat-band materials and the optical properties of V_(2)O_(5)
《npj Computational Materials》2024年第1期2346-2346,共1页Vitaly Gorelov Lucia Reining Martin Feneberg Rüdiger Goldhahn AndréSchleife Walter R.L.Lambrecht Matteo Gatti 
Correction to:npj Computational Materials https://doi.org/10.1038/s41524-022-00754-2,published online 28 April 2022“In this article,there is an error in figure 2 and some text corrections.The figure should have appea...
关键词：CORRECTION corrected error 
Spin effect on redox acceleration and regioselectivity in Fe-catalyzed alkyne hydrosilylation被引量：1
《National Science Review》2024年第2期150-162,共13页Peng He Meng-Yang Hu Jin-Hong Li Tian-Zhang Qiao Yi-Lin Lu Shou-Fei Zhu 
supported by the National Key R&D Program of China (2021YFA1500200);National Natural Science Foundation of China (22001129, 92256301, 92156006, 21971119 and 22221002);Program of Introducing Talents of Discipline to Universities (‘111’ project, B06005) of the Ministry of Education of China;Haihe Laboratory of Sustainable Chemical Transformations;Fundamental Research Funds for the Central Universities;New Cornerstone Science Foundation through XPLORER PRIZE
Iron catalysts are ideal transition metal catalysts because of the Earths abundant,cheap,biocompatible features of iron salts.Iron catalysts often have unique open-shell structures that easily undergo spin crossover i...
关键词：spin effect spin-delocalization spin crossover iron-catalysis alkyne hydrosilylation 
Enhanced charge separation by interchain hole delocalization in nonfullerene acceptor-based bulk heterojunction materials
《Carbon Energy》2023年第7期27-37,共11页Chang-Mok Oh Sujung Park Jihoon Lee Sung Heum Park Shinuk Cho In-Wook Hwang 
supported by the National Research Foundation of Korea(NRF)grants funded by the Korea government(MSIT)(2022R1F1A1065586,2019R1A6A1A11053838);the GIST Research Institute(GRI)APRI grant funded by the GIST in 2022.
Bulk heterojunction(BHJ)composites show improved power conversion efficiencies when optimized in terms of morphology using various film processing methods.A reduced carrier recombination loss in an optimized BHJ was c...
关键词：bulk heterojunction interchain hole delocalization nonfullerene acceptor photoinduced absorption spectroscopy solar cell 
Synthesis and Characterization of a Persistent Benzoanthracenyl Radical Derivative
《Chemical Research in Chinese Universities》2023年第2期208-212,共5页GUO Yupeng WU Xingye HOU Bingxia XIANG Qin NI Yong LI Jinling SUN Zhe 
National Natural Science Foundation of China(No.21971187);Natural Science Foundation of Tianjin,China(No.19JCJQJC62700);Haihe Laboratory of Sustainable Chemical Transformations and Training Plan for Young Core Teachers of Colleges and Universities in Henan Province,China(No.2019GGJS093).
A highly persistent benzoanthracenyl radical(BAR1)protected by five substituents at strategic positions is synthesized.BAR1 exhibited half-life time of 108 h in air-saturated solution,which allowed for detailed charac...
关键词：Graphene fragment Hydrocarbon radical DELOCALIZATION Spin distribution CATION 
Simultaneous field-free molecular orientation and planar delocalization by THz laser pulses[Invited]被引量：1
《Chinese Optics Letters》2022年第10期42-48,共7页Dominique Sugny 
This study shows the unexpected and counterintuitive possibility of simultaneously orienting a molecule while delocalizing its molecular axis in a plane in field-free conditions.The corresponding quantum states are ch...
关键词：rotational dynamics quantum control molecular orientation and alignment THz laser pulses 
Delocalizedπ_(3)^(6) Bond in OX_(2) (X=Halogen) Molecules
《Chinese Journal of Chemical Physics》2022年第3期542-550,I0003,共10页Yi-han Tang Pu Yang Meng-yuan Chen Yu-ru Wang Jia-xin Wang Jia-wei Xu 
supported by the Provincial Innovation and Entrepreneurship Training Program of Jiangsu Province(No.201910319079Y)。
OX_(2)(X=halogen)molecules was studied theoretically.Calculation results show that delocalizedπ_(3)^(6) bonds exist in their electronic structures and O atoms adopt the sp^(2) type of hybridization,which violates the...
关键词：Theoretical and computational chemistry Valence shell electron pair repulsion theory Delocalizedπbond Delocalization stabilization energy Dihalogen monoxide 
Shear instability in heterogeneous nanolayered Cu/Zr composites
《Journal of Materials Science & Technology》2022年第10期81-91,共11页Jianjun Li Feng Qin Dingshun Yan Wenjun Lu Jiahao Yao 
fnancially supported by the National Natural Science Foundation of China(No.11872380);the Natural Science Foundation of Hunan Province(Nos.2019JJ50750 and 2020JJ3043);the start-up funding from Central South University,China;the Joint Research Found Liaoning-Shenyang National Laboratory for Materials Science(No.2019JH3/3010029)。
Ultrastrong nanolayered metallic composites are usually subjected to low ductility due to plastic instability during deformation.Here we investigated the shear instability of a newly designed heterogeneous nanolayered...
关键词：Nanolayered metallic composites SPUTTERING MICROINDENTATION Shear band Strain delocalization 
Delocalization of dark and bright excitons in flat-band materials and the optical properties of V_(2)O_(5)
《npj Computational Materials》2022年第1期882-890,共9页Vitaly Gorelov Lucia Reining Martin Feneberg Rüdiger Goldhahn AndréSchleife Walter R.L.Lambrecht Matteo Gatti 
This work benefited from the support of EDF in the framework of the research and teaching Chair “Sustainable energies” at Ecole Polytechnique.Computational time was granted by GENCI (Project No.544);W.R.L.L.was supported by the U.S.Department of Energy-Basic Energy Sciences (DOE-BES) grant no.DE-SC0008933;This material is in part based upon work supported by the National Science Foundation under grant no.DMR-1555153;This research is part of the Blue Waters sustained-petascale computing project,which is supported by the National Science Foundation (awards OCI-0725070 and ACI-1238993) and the state of Illinois。
The simplest picture of excitons in materials with atomic-like localization of electrons is that of Frenkel excitons,where electrons and holes stay close together,which is associated with a large binding energy.Here,u...
关键词：structure ANISOTROPY finding 
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