The geometry of 2-mercaptobenzothiazole （MBT） and its tautomeric form of benzothiazole-2-thione are optimized at B3LYP/6-311 G＊＊ and HF/6-311 G＊＊ levels, respectively. The crystal structure of benzothiazole-2-th...The geometry of 2-mercaptobenzothiazole （MBT） and its tautomeric form of benzothiazole-2-thione are optimized at B3LYP/6-311 G＊＊ and HF/6-311 G＊＊ levels, respectively. The crystal structure of benzothiazole-2-thione and its FFIR spectra are also obtained. From the calculated and experimental data, it can be concluded that in gas-phase and solid-state, the real existing form of 2-mercaptobenzothiazole is the thione-form of MBT.展开更多
由于锌金属在电解液中热力学不稳定而自发地发生寄生反应(析氢、枝晶生长等),水系锌离子电池的商业化应用受到了阻碍.因此,我们构建了一种高粘附性的锌离子传导聚合物聚乙烯醇缩甲醛(PVF)缓冲层,来抑制这些寄生反应的发生,从而提高锌沉...由于锌金属在电解液中热力学不稳定而自发地发生寄生反应(析氢、枝晶生长等),水系锌离子电池的商业化应用受到了阻碍.因此,我们构建了一种高粘附性的锌离子传导聚合物聚乙烯醇缩甲醛(PVF)缓冲层,来抑制这些寄生反应的发生,从而提高锌沉积的可逆性.这种致密的人工缓冲层不仅能有效隔绝电解质与锌负极之间的直接接触,还能适应锌沉积/剥离过程中的体积膨胀,并引导锌成核过程.具体来说,PVF层可提高成核过电位,并促进Zn2+的三维扩散过程,使PVF层下的Zn2+沉积通量均匀化.我们设计的PVF@Zn具有高循环稳定性和不易生成枝晶的特点,基于该电极的对称电池的长循环寿命超过5200 h,比Zn负极电池提高了近35倍,甚至可以在40.0 mA cm^(−2)的超高电流密度下稳定运行.此外,PVF@Zn||NVO全电池在1.0 A g^(−1)的条件下进行2400个循环后,仍能保持172.4 mA h g^(−1)的比容量.这种通过消除自发寄生反应并调节锌均匀沉积及成核的策略,为设计实用化高性能锌负极提供了重要借鉴.展开更多
基金This work was supported by the Natural Science Foundation of Shandong Province (No.Y2002B06)
文摘The geometry of 2-mercaptobenzothiazole （MBT） and its tautomeric form of benzothiazole-2-thione are optimized at B3LYP/6-311 G＊＊ and HF/6-311 G＊＊ levels, respectively. The crystal structure of benzothiazole-2-thione and its FFIR spectra are also obtained. From the calculated and experimental data, it can be concluded that in gas-phase and solid-state, the real existing form of 2-mercaptobenzothiazole is the thione-form of MBT.
基金supported by the Platform Supporting Fund of Qingyuan Innovation Laboratory(00623001)the Key Program of Qingyuan Innovation Laboratory(00223002).
文摘由于锌金属在电解液中热力学不稳定而自发地发生寄生反应(析氢、枝晶生长等),水系锌离子电池的商业化应用受到了阻碍.因此,我们构建了一种高粘附性的锌离子传导聚合物聚乙烯醇缩甲醛(PVF)缓冲层,来抑制这些寄生反应的发生,从而提高锌沉积的可逆性.这种致密的人工缓冲层不仅能有效隔绝电解质与锌负极之间的直接接触,还能适应锌沉积/剥离过程中的体积膨胀,并引导锌成核过程.具体来说,PVF层可提高成核过电位,并促进Zn2+的三维扩散过程,使PVF层下的Zn2+沉积通量均匀化.我们设计的PVF@Zn具有高循环稳定性和不易生成枝晶的特点,基于该电极的对称电池的长循环寿命超过5200 h,比Zn负极电池提高了近35倍,甚至可以在40.0 mA cm^(−2)的超高电流密度下稳定运行.此外,PVF@Zn||NVO全电池在1.0 A g^(−1)的条件下进行2400个循环后,仍能保持172.4 mA h g^(−1)的比容量.这种通过消除自发寄生反应并调节锌均匀沉积及成核的策略,为设计实用化高性能锌负极提供了重要借鉴.
