CRYSTAL_STRUCTURE

作品数:3345被引量:3036H指数:14
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相关机构:中国科学技术大学中国科学院广西师范大学东北大学更多>>
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Pressure-driven crystal structure evolution in RbB_(2)C_(4)compounds
《Chinese Physics B》2025年第4期86-90,共5页Jinyu Liu Ailing Liu Yujia Wang Lili Gao Xiangyi Luo Miao Zhang 
Project supported by the Jilin Provincial Science and Technology Development Joint Fund Project(Grant No.YDZJ202201ZYTS581);supported by the Scientific and Technological Research Project of Jilin Provincial Education Department(Grant No.JJKH20240077KJ).
As an extreme physical condition,high pressure serves as a potent means to substantially modify the interatomic distances and bonding patterns within condensed matter,thereby enabling the macroscopic manipulation of m...
关键词:first-principles calculation high pressure RbB_(2)C_(4)compounds crystal structure prediction 
First-principles insights into the high-pressure stability and electronic characteristics of molybdenum nitride
《Chinese Physics B》2025年第3期142-150,共9页Tao Wang Ming-Hong Wen Xin-Xin Zhang Wei-Hua Wang Jia-Mei Liu Xu-Ying Wang Pei-Fang Li 
Project supported by the National Natural Science Foundation of China(Grant No.11964026);the Natural Science Foundation of Inner Mongolia,China(Grant Nos.2019MS01010 and 2023LHMS01014);Higher Educational Scientific Research Projects of Inner Mongolia(Grant Nos.NJZZ19145 and NJZZ22470);the Educational Scientific Research Project of Liaoning Province(Grant No.LJKZ0452);the Doctoral Starting up Foundation of Inner Mongolia Minzu University of Science and Technology(Grant No.BSZ023);Inner Mongolia Autonomous Region Youth Capacity Improvement Project(Grant No.GXKY22157);Higher Physics Major Teaching Steering Committee of the Ministry of Education Project(Grant No.JZW-23-GT-21)。
Molybdenum nitride,renowned for its exceptional physical and chemical properties,has garnered extensive attention and research interest.In this study,we employed first-principles calculations and the CALYPSO structure...
关键词:molybdenum nitride CALYPSO crystal structure high pressure 
A rhombic Dy_(4)-based complex showing remarkable single-molecule magnet behavior
《无机化学学报》2025年第3期605-612,共8页HOU Yinling JI Jia YU Hong BIAN Xiaoyun GUAN Xiaofen QIU Jing REN Shuyi FANG Ming 
凯里学院校级规划课题(No.2022ZD07)资助。
A tetranuclear Ln(Ⅲ)-based complex:[Dy_(4)(dbm)_(4)(L)_(6)(μ_(3)-OH)_(2)]·CH_(3)CN(1)(HL=5-[(4-methylbenzylidene)amino]quinolin-8-ol,Hdbm=dibenzoylmethane)was manufactured and its structure was characterized in det...
关键词:tetranuclear Dy(Ⅲ)complex Schiff base ligand crystal structure magnetic property single⁃molecule magnet 
Syntheses,crystal structures,and characterizations of two cadmium(Ⅱ)coordination polymers
《无机化学学报》2025年第3期613-623,共11页LI Xiumei LI Linlin LIU Bo PAN Yaru 
吉林省科技发展计划(No.JJKH20210541KJ)资助。
Two new transition-metal coordination polymers,{[Cd(oba)(L)_(2)]·H_(2)O}_n(1)and[Cd(4-nph)(L)_(2)]_n(2)(H_(2)oba=4,4'-oxydibenzoic acid,4-H_(2)nph=4-nitrophthalic acid,L=2,2'-biimidazole),were successfully synthesize...
关键词:coordination polymer cadmium(Ⅱ)complex crystal structure quantum⁃chemical calculations 
New poly-types of LPSO structures in a non-equilibrium Mg_(97)Zn_(1)Y_(1.6)Ca_(0.4)alloy
《China Foundry》2025年第1期83-89,共7页Qian-qian Jin Zi-hui Tang Wen-long Xiao Xiu-yu Qu Xu-hao Han Lin Mei Xiao-hong Shao Xiu-liang Ma 
supported by the open research fund of Songshan Lake Materials Laboratory(No.2022SLABFN08);Guangxi Science and Technology Base and Talents Special Project(Nos.Guike AD20297034 and AD21220053);the National Natural Science Foundation of China(No.51801214 and 52171021);the Research Start-up Funding from Guangxi University of Science and Technology(No.03200150);the Middle-aged and Young Teachers’Basic Ability Promotion Project of Guangxi(No.2022KY0329)。
In this study,a comprehensive analysis of microstructural features,morphology,crystal structures,and interface structures of long-period stacking ordered(LPSO)structures in a non-equilibrium Mg_(97)Zn_(1)Y_(16)Ca_(0.4...
关键词:LPSO structures crystal structure Mg alloys heterogeneous interface 
Enhancement of piezoelectric properties with high Curie temperature in CaBi_(2)Nb_(2)O_(9) via MnO_(2) doping
《Transactions of Nonferrous Metals Society of China》2025年第2期552-562,共11页Meng-si WANG Yan ZHANG Xiao-gang LUO Lin TANG Shan XIANG Ru GUO Xue-fan ZHOU Ke-chao ZHOU Dou ZHANG 
National Key Research and Development Program of China (No. 2022YFB3807404);State Key Laboratory of Powder Metallurgy, the National Natural Science Foundation of China (No. 52102150, 52302158);Xiaomi Young Talents Program, China。
MnO_(2)-doped Ca_(0.97)Bi_(2.03)Nb_(2)O_(9) ceramics with greatly improved piezoelectric performance were prepared via conventional solid state sintering method.The effects of MnO_(2) doping on the microstructure and ...
关键词:CaBi_(2)Nb_(2)O_(9)ceramics MnO_(2)doping crystal structure oxygen vacancy 
Synthesis,structure,and magnetic property of a cobalt(Ⅱ)complex based on pyridyl⁃substituted imino nitroxide radical
《无机化学学报》2025年第2期407-412,共6页WANG Xiaoling ZHANG Hongwu LIU Daofu 
淮南师范学院科研创新团队建设计划资助。
A new cobalt(Ⅱ)-radical complex:[Co(im4-py)_(2)(PNB)_(2)](im4-py=2-(4'-pyridyl)-4,4,5,5-tetramethylimidazole-1-oxyl,HPNB=p-nitrobenzoic acid)has been synthesized and characterized by X-ray diffraction analysis,elemen...
关键词:Co(Ⅱ)complex imino nitroxide radical crystal structure magnetic property 
Surface defect engineering of ZnCoS in ZnCdS with twin crystal structure for visible-light-driven H_(2) production coupled with benzyl alcohol oxidation
《Chinese Journal of Catalysis》2025年第2期84-98,共15页Tan Ji Siang Peipei Zhang Binghui Chen Wee-Jun Ong 
国家自然科学基金(22202168);广东省基础与应用基础研究基金(2021A1515111019);厦门大学固体表面物理化学国家重点实验室(2023X11);厦门大学马来西亚研究生(IENG/0038);厦门大学马来西亚研究基金(ICOE/0001,XMUMRF/2021-C8/IENG/0041).
Photoredox dual reaction of organic synthesis and H2 evolution opens up a novel pathway for collaboratively generating clean fuels and high-quality chemicals,providing a more effective approach of solar energy convers...
关键词:Photoredoxdual reaction Aromatic alcohol conversion Surface vacancy Organic synthesis H_(2)production 
Layered metal carbo–selenide Nb_(2)CSe_(2) with van der Waals interlayer coupling
《Journal of Advanced Ceramics》2025年第1期101-110,共10页Junchao Wang Renfei Cheng Tao Hu Xinyue Tang Yan Liang Min Tian Ting Xiong Qiuhong Lu Qi Zhu Zhiqing Yang Xiaohui Wang Yanchun Zhou 
supported by the Shenyang National Laboratory for Materials Science,Institute of Metal Research,Chinese Academy of Sciences,Basic and Applied Basic Research Program of Guangdong Province(No.2021B0301030003);Ji Hua Laboratory(No.X210141TL210)。
The stacking structure of Nb_(2)CSe_(2),a newly synthesized layered metal carbo-selenide,was elucidated by scanning transmission electron microscopy.Nb,CSe2 features Se-Nb-C-Nb-Se quintuple atomic layers.These layers ...
关键词:MXene Nb_(2)CSe_(2) crystal structure electronic structure elastic properties interlayer coupling Raman spectroscopy friction coefficient 
Copper complexes of anthrahydrazone bearing pyridyl side chain:Synthesis,crystal structure,anticancer activity,and DNA binding
《无机化学学报》2025年第1期213-224,共12页HUANG Yao WU Yingshu BAO Zhichun HUANG Yue TANG Shangfeng LIU Ruixue LIU Yancheng LIANG Hong 
国家自然科学基金(No.22167005);云南开放大学高层次人才科研启动经费(No.060123070);云财教2024年“三区”科技人才项目(No.061024023);云南省一流学科“高原农业资源与环境”建设经费(No.060123076)资助。
To expand the study on the structures and biological activities of the anthracyclines anticancer drugs and reduce their toxic side effects,the new anthraquinone derivatives,9‑pyridylanthrahydrazone(9‑PAH)and 9,10‑bisp...
关键词:anthrahydrazone metal complex crystal structure anticancer activity cell apoptosis 
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