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Amelioration of sintering and multi-frequency dielectric properties of Mg_(3)B_(2)O_(6):A mechanism study of nickel substitution using DFT calculation 被引量:1
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作者 Rui PENG Yongcheng LU +6 位作者 Qin ZHANG Yuanming LAI Guoliang YU Xiaohui WU Yuanxun LI Hua SU Huaiwu ZHANG 《Journal of Advanced Ceramics》 SCIE CAS CSCD 2021年第6期1398-1407,共10页
With the support of density functional theory(DFT)calculation,the amelioration of sintering and dielectric properties of the Mg_(3)B_(2)O_(6)(MBO)ceramic was realized through the substitution of magnesium with nickel.... With the support of density functional theory(DFT)calculation,the amelioration of sintering and dielectric properties of the Mg_(3)B_(2)O_(6)(MBO)ceramic was realized through the substitution of magnesium with nickel.The TE-mode cylindrical cavity method was used to measure the dielectric properties at different frequencies.The thermo-mechanical analysis and simultaneous thermal analysis were used to characterize the chemical and mechanical properties.The phase composition was determined through the X-ray diffraction(XRD)and Raman spectrum.The microstructure was investigated using the scanning electron microscopy(SEM).Magnesium substitution with nickel(4 mol%)could ionize the B-0 bond of BO3,modify the vibration mode,improve the order degree,densify the microstmcture,decrease the intrinsic densification temperature,and ameliorate the dielectric properties of the MBO ceramics.The maximum values were achieved for the ceramics with 4 mol%nickel and sintered at 1175℃,that is,97.2%for relative density,72,600 GHz(10 GHz),75,600 GHz(11.4 GHz),and 92,200 GHz(15 GHz)for Q×f,7.1(10 GHz),7.01(11.4 GHz),and 6.91(15 GHz)for£r,and-56.3 ppm/℃ for if. 展开更多
关键词 BORATE density flinctional theory(DFT) low dielectric constant dielectric properties
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