TRANSITION-METAL

作品数：130被引量：235H指数：8
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相关作者：鞠林孙礼张雍家蓝宇崔海涛更多>>
相关机构：安阳师范学院太原理工大学陕西师范大学重庆大学更多>>
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相关基金：国家自然科学基金国家重点基础研究发展计划中国博士后科学基金高等学校学科创新引智计划更多>>
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Stable geometries and magnetic properties in transition-metaldoped Sm_(5)Co_(19)permanent magnet alloys:Insights from DFT
《Science China(Physics,Mechanics & Astronomy)》2025年第4期219-227,共9页Cheng Fang Zhi Yan Xu-Jin Zhang Jian-Hua Xiao Fang Wang Xiao-Hong Xu 
supported by the National Key R&D Program of China(Grant No.2022YFB3505301);the Key R&D Program of Shanxi Province(Grant No.202302050201014);the National Natural Science Foundation of China(Grant No.12304148);the Natural Science Basic Research Program of Shanxi Province(Grant No.202203021222219);the China Postdoctoral Science Foundation(Grant No.2023M731452)。
Sm_(5)Co_(19)permanent magnet alloy holds significant potential for applications due to its ultra-high intrinsic coercivity,low temperature coefficient of coercivity and high Curie temperature.However,its metastable n...
关键词：element doping structural stability magnetic properties first-principles calculation Sm5Co19permanent magnet alloys 
Transition-metal and base-free ether synthesis via alcohol-participated yne-allylic substitution
《Green Synthesis and Catalysis》2024年第4期303-309,共7页Chao Xu Yingkun Luo Shengtong Niu Fan Gong Shouang Lan Benlong Luo Jinggong Liu Shuang Yang Xinqiang Fang 
Financial support was provided by NSFC(Nos.22071242 and 21871260);the Strategic Priority Research Program of the Chinese Academy of Sciences(No.XDB20000000);Fujian Natural Science Foundation(Nos.2018J05035 and 2021J01522).
Ethers are among the most important chemicals in organic synthesis,the pharmaceutical industry,agrochemical production,and material science.C–O bond formation via substitution is one of the most widely used strategie...
关键词：Ether synthesis Yne-allylic substitution Transition-metal free Base free ALCOHOL 
Transition-Metal-Mediated Fluoroalkylation of Carbon Electrophiles through Cross-Electrophile Couplings
《Chinese Journal of Chemistry》2024年第24期3499-3517,共19页Yun-Cheng Luo Xingang Zhang 
supported by the National Natural Science Foundation of China(21931013,21991122);the National Key R&D Program of China(2021YFF0701700);the Strategic Priority Research Program of the Chinese Academy of Sciences(XDB0590000);the Science and Technology Commission of Shanghai Municipality(22JC1403500,21XD1404400).
Organofluorine compounds have attracted substantial interest in life and materials sciences due to the unique properties of fluorine atom(s)that often change the physicochemical and biological properties of organic mo...
关键词：FLUOROALKYLATION Cross-electrophile coupling Dicarbofunctionalization Copper Nickel catalysis 
First-principles investigation of two-dimensional iron molybdenum nitride: A double transition-metal cousin of MoSi_(2)N_(4)(MoN) monolayer with distinctive electronic and topological properties
《Frontiers of physics》2024年第6期77-93,共17页Yi Ding Yanli Wang 
support from the National Natural Science Foundation of China(No.11774312).
As the homologous compounds of MoSi_(2)N_(4),the MoSi_(2)N_(4)(MoN)n monolay-ers have been synthesized in a recent experiment.These systems consist of homogeneous metal nitride multilayers sandwiched between two SiN s...
关键词：quantum anomalous Hall state MA_(2)Z_(4)(M'Z)family firstprinciples double transition-metal nitride 
Role of bonding filling on HER/OER/ORR multifunctional catalytic activity in transition-metals-doped PdPX(X=S,Se,Te)
《Rare Metals》2024年第10期5126-5140,共15页Hai-Hua Huang Wei Li Cheng-Chao Hu Xue-Qin Sun Lin-Guo Lu Xiao-Feng Fan 
financially supported by the National Natural Science Foundation of China(No.12204215);Shandong Provincial Natural Science Foundation,China(Nos.ZR2022ME030 and ZR2021QA026)。
The development of stable and highly efficien multifunctional electrocatalysts for the hydrogen evolution reaction(HER),oxygen reduction reaction(ORR)and oxygen evolution reaction(OER)are essential for the efficient c...
关键词：ELECTROCATALYST Two-dimensional PdPX Water splitting Density functional theory 
Transition-metal free trifluoromethylimination of alkenes enabled by direct activation of N-unprotected ketimines
《Chinese Chemical Letters》2024年第9期155-159,共5页Boqiang Wang Yongzhuo Xu Jiajia Wang Muyang Yang Guo-Jun Deng Wen Shao 
Financial support from the National Natural Science Foundation of China(Nos.22201239,22205192 and 22271244);the Hunan Provincial Natural Science Foundation of China(No.2022JJ40429);the Scientific Research Fund of Hunan Provincial Education Department(No.21B0130);the Open Research Fund of School of Chemistry and Chemical Engineering,Henan Normal University(No.2022C02);the Process Intensification&Green Chemical Engineering Innovation Team Project of Hunan Province。
A highly site-selective intermolecular trifluoromethylimination of activated and unactivated olefins was reported under transition-metal-and photosensitizer-free conditions.This newly developed strategy provides strai...
关键词：Transition-metal free Alkenes difunctionalization AMINATION TRIFLUOROMETHYLATION Single-electron transfer 
Transition-metal-catalyzed remote meta-C-H alkylation and alkynylation of aryl sulfonic acids enabled by an indolyl template
《Chinese Chemical Letters》2024年第8期254-259,共6页Pengfei Zhang Qingxue Ma Zhiwei Jiang Xiaohua Xu Zhong Jin 
Financial support from the National Natural Science Foundation of China(No.22171145 to Z.Jin,32072440 to X.Xu)is gratefully acknowledged.
Transition-metal-catalyzed remote sp^(2)C-H functionalization of aryl sulfonic acids was hardly ever real-ized owing to competitive ortho-C-H functionalization of aryl sulfonates and electron-deficient nature of pheny...
关键词：C-H functionalization Aryl sulfonic acid SITE-SELECTIVITY Transition-metal catalysis ALKYLATION ALKYNYLATION 
Defect engineering in transition-metal(Fe,Co,andNi)-based electrocatalysts for water splitting被引量：1
《Carbon Energy》2024年第6期165-199,共35页Kaili Wu Chaojie Lyu Jiarun Cheng Weifan Ding Jiwen Wu Qian Wang Woon-Ming Lau Jinlong Zheng 
National Natural Science Foundation of China,Grant/Award Number:52271200;Scientific and Technological Innovation Foundation of Foshan,Grant/Award Number:BK20BE009;the Fundamental Research Funds for the Central Universities,Grant/Award Number:FRF-TP-18-079A1;Guangdong Basic and Applied Basic Research Foundation,Grant/Award Number:2020A1515110460,ORCID:http://orcid.org/0000-0002-0870-2248。
Electrocatalytic water splitting seems to be an efficient strategy to deal with increasingly serious environmental problems and energy crises but still suffers from the lack of stable and efficient electrocatalysts.De...
关键词：defect engineering electrocatalytic water splitting element doping interfacial engineering VACANCY 
Enhanced Sampling Simulations on Transition-Metal-Catalyzed Organic Reactions:Zirconocene-Catalyzed Propylene Polymerization and Sharpless Epoxidation
《CCS Chemistry》2024年第4期964-975,共12页Xu Han Tian-Yu Sun Yi Isaac Yang Jun Zhang Jing Qiu Zhaoping Xiong Nan Qiao Yun-Dong Wu Yi Qin Gao 
supported by National Natural Science Foundation of China(grant nos.21927901,21821004,and 21873007 to Y.Q.G.,grant no.21933004 to Y.D.W.,grant nos.22273061 and 22003042 to Y.I.Y.);the Key-Area Research and Development Program of Guangdong Province(grant no.2020B0101350001 to Y.D.W.).
The bond breaking and forming in chemical reactions is a typical rare event,which is one of the difficult problems in molecular dynamics simulations.Numerous enhanced sampling methods have been developed to extend the...
关键词：molecular dynamics enhanced sampling METADYNAMICS integrated tempering sampling propylene polymerization Sharpless epoxidation 
Recent advances in transition-metal catalyzed nitrene transfer reactions with carbamates
《Chinese Chemical Letters》2024年第3期76-86,共11页Yanshu Luo Xinyu Zhang Yuanzhi Xia 
the financial support provided by the National Natural Science Foundation of China(Nos.21572163 and 21873074);the Wenzhou Science&Technology Bureau(No.G20210032)。
Nitrene transfer reactions are powerful tools in synthetic organic chemistry.In recent years,transitionmetal catalyzed nitrene transfer reactions with carbamates as the nitrene precursors have been widely pursued.Such...
关键词：Transition-metal catalysis Nitrene transfer CARBAMATE C—H amination AZIRIDINATION Bifunctionalization 
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