SUBSTITUTION

作品数：716被引量：1140H指数：13
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Significant increase in thermal conductivity of cathode material LiFePO_(4) by Na substitution:A machine learning interatomic potential-assisted investigation
《Chinese Physics B》2025年第2期463-468,共6页Shi-Yi Li Qian Liu Yu-Jia Zeng Guofeng Xie Wu-Xing Zhou 
supported by the National Natural Science Foundation of China(Grant No.12074115);the Science and Technology Innovation Program of Hunan Province(Grant No.2023RC3176)。
LiFePO_(4) is a cathode material with good thermal stability,but low thermal conductivity is a critical problem.In this study,we employ a machine learning potential approach based on first-principles methods combined ...
关键词：lattice thermal conductivity machine learning potential LiFePO_(4) 
Impact of Co^(2+)substitution on structure and magnetic properties of M-type strontium ferrite with different Fe/Sr ratios
《Chinese Physics B》2024年第10期427-433,共7页Yang Sun Ruoshui Liu Huayang Gong Baogen Shen 
support from the Research Projects of Ganjiang Innovation Academy,Chinese Academy of Sciences(Grant No.E355B001);Key Research Program of the Chinese Academy of Sciences(Grant No.ZDRW-CN-2021-3);Science Center of the National Natural Science Foundation of China(Grant No.52088101).
Ion substitution has significantly improved the performance of ferrite magnets,and cobalt remains a key area of research.Studies on the mechanism of Co^(2+)in strontium ferrite,especially SrFe_(2n-x)Co_(x)O_(19-d)(n=6...
关键词：HEXAFERRITE Co substitution Raman spectra magnetic properties 
Improved microwave dielectric properties of MgAl_(2)O_(4)spinel ceramics through(Li_(1/3)Ti_(2/3))^(3+)doping被引量：1
《Chinese Physics B》2023年第5期668-673,共6页李潇 杨习志 赖元明 张芹 李宝阳 戚聪 殷俊 王凡硕 巫崇胜 苏桦 
the Chengdu University of Technology(Grant No.KYQD201907728)。
A series of nominal compositions MgAl_(2-x)(Li_(1/3)Ti_(2/3))_(x)O_(4)(x=0,0.04,0.08,0.12,0.16,and 0.20)ceramics were successfully prepared via the conventional solid-state reaction route.The phase compositions,micros...
关键词：microwave dielectric ceramics MgAl_(2)O_(4)ceramic co-substitution MgTi_(2)O_(5) solid solubility limit 
Effects of π-conjugation-substitution on ESIPT process for oxazoline-substituted hydroxyfluorenes
《Chinese Physics B》2023年第2期499-503,共5页汪迪 周悄 魏强 宋朋 
supported by the National Natural Science Foundation of China (Grant No. 11974152);the Shenyang High level Innovative Talents Program (Grant No. RC200565);the Science program of Liaoning Provincial Department of Education (Grant No. LJKZ0097);the Intercollegiate cooperation project of colleges and universities of Liaoning Provincial Department of Education。
Excited-state intramolecular proton transfer(ESIPT) molecules are broadly applied to UV absorbers, fluorescence sensing, and lighting materials. In previous work, the fluorescence colors of oxazoline-substituted hydro...
关键词：density functional theory(DFT)and time-dependent DFT(TDDFT) excited-state proton transfer intramolecular hydrogen bonding π-conjugation-substitution 
Substitutions of vertex configuration of Ammann–Beenker tiling in framework of Ammann lines
《Chinese Physics B》2022年第8期500-504,共5页Jia-Rong Ye Wei-Shen Huang Xiu-Jun Fu 
Project supported by the National Natural Science Foundation of China(Grant No.11674102)。
The Ammann–Beenker tiling is a typical model for two-dimensional octagonal quasicrystals. The geometric properties of local configurations are the key to understanding its formation mechanism. We study the configurat...
关键词：QUASICRYSTALS Ammann–Beenker tiling Ammann lines substitution rules 
Microstructural,magnetic and dielectric performance of rare earth ion(Sm^(3+))-doped MgCd ferrites
《Chinese Physics B》2022年第7期643-647,共5页Dandan Wen Xia Chen Dasen Luo Yi Lu Yixin Chen Renpu Li Wei Cui 
the National Key Research and Development Program of China(Grant No.2018YFE0115500);the National Natural Science Foundation of China(Grant Nos.51902037 and 62005033);the Open Foundation of State Key Laboratory of Electronic Thin Films and Integrated Devices(Grant No.KFJJ201912);the Science and Technology Project Affiliated to the Education Department of Chongqing Municipality(Grant No.KJQN201900615);the Nature Science Foundation of Chongqing(Grant No.cstc2019jcyjmsxm X0696)。
The combined effects of Sm^(3+)substitution together with the addition of 3 wt%Bi_(2)O_(3)endow Mg Cd ferrites with excellent magnetic permeability and dielectric permittivity.Various concentrations of Sm^(3+)(x=0,0.0...
关键词：ferrites Sm^(3+)ions SUBSTITUTION magnetic permeability dielectric permittivity 
A DFT/TD-DFT study of effect of different substituent on ESIPT fluorescence features of 2-(2’-hydroxyphenyl)-4-chloromethylthiazole derivatives
《Chinese Physics B》2022年第3期589-596,共8页Shen-Yang Su Xiu-Ning Liang Hua Fang 
Based on density functional theory(DFT) and time-dependent density functional theory(TD-DFT), the effects of substituent on the excited-state intramolecular proton transfer(ESIPT) process and photophysical properties ...
关键词：excited-state intramolecular proton transfer(ESIPT) TD-DFT SUBSTITUTION 
Tailoring the optical and magnetic properties of La-BaM hexaferrites by Ni substitution被引量：1
《Chinese Physics B》2022年第2期570-575,共6页Hafiz T.Ali MRamzan M Imran Arshad Nicola A.Morley M.Hassan Abbas Mohammad Yusuf Atta Ur Rehman Khalid Mahmood Adnan Ali Nasir Amin MAjaz-un-Nabi 
supported by the Taif University Researchers Supporting Project number(TURSP-2020/293),Taif University,Taif,Saudi Arabia。
We investigate the impact of Ni insertion on the structural,optical,and magnetic properties of Ba_(0.8)La_(0.2)Fe_(12-x)Ni_(x)O_(19)hexaferrites(Ni substituted La-BaM hexaferrites).Samples were prepared using the conv...
关键词：M-type hexaferrite nanostructured materials magnetic properties optical properties 
Effects of Ni substitution on multiferroic properties in Bi_(5)FeTi_(3)O_(15) ceramics
《Chinese Physics B》2021年第10期595-602,共8页Hui Sun Jiaying Niu Haiying Cheng Yuxi Lu Zirou Xu Lei Zhang Xiaobing Chen 
The single-phase multiferroic Bi_(5)Fe_(1−x)NixTi_(3)O_(15)(BFNT-x,x=0,0.1,0.2,0.3,0.4,and 0.5)ceramics were synthesized by a sol-gel auto-combustion method,and their microstructures,ferroelectric,magnetic,and dielect...
关键词：layer-perovskited oxides FERROELECTRICITY weak ferromagnetism phase transition 
Effects of substitution of group-V atoms for carbon or silicon atoms on optical properties of silicon carbide nanotubes被引量：1
《Chinese Physics B》2021年第6期602-609,共8页Ying-Ying Yang Pei Gong Wan-Duo Ma Rui Hao Xiao-Yong Fang 
supported by the National Natural Science Foundation of China (Grant Nos. 11574261 and 51132002);the Natural Science Foundation of Hebei Province,China (Grant No. A2015203261)。
Silicon carbide nanotubes(SiCNTs) have broad application prospects in the field of micro-nanodevices due to their excellent physical properties. Based on first-principles, the difference between optical properties of ...
关键词：silicon carbide nanotubes group-V doped optical properties first-principles theory 
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