The electrical properties of metal-organic frameworks (MOF) have attracted attention for MOF as electronic materials. We report on/off switchable electronic conduction behavior with thermal responsiveness in intercalated MOF (iMOF) with layered structure, 2,6-naphthalene dicarboxylate dilithium, which was previously reported as a reversible Li-intercalation electrode material. The I-V response ...

Cluster architecture and lithium motion dynamics are investigated in nanocomposites formed by the intercalation of lithium and a dialkylamine (diethylamine, dibutylamine and dipentylamine) in molybdenum disulfide by means of 7Li Nuclear Magnetic Resonance (NMR) technique. The present contribution illustrates the potential of the NMR techniques in the study of both the short range atomic structu...

We compare the accuracy of conventional semilocal density functional theory DFT , the DFT+U method, and the Heyd-Scuseria-Ernzerhof HSE06 hybrid functional for structural parameters, redox reaction energies, and formation energies of transition metal compounds. Conventional DFT functionals significantly underestimate redox potentials for these compounds. Zhou et al. Phys. Rev. B 70, 235121 2004...

The structural changes and electrochemical behavior of RuO2 are investigated by using in situ XRD, X-ray absorption spectroscopy, and electrochemical techniques to understand the electrochemical reaction mechanism of this metal oxide anode material. Intermediate phase-assisted transformation of RuO2 to LiRuO2 takes place at the start of discharge. Upon further lithiation, LiRuO2 formed by inter...

A novel approach for suppressing the solvated lithium intercalation in graphite was developed by microencapsulating graphite with nanosized Ni-composite particles. The Ni-composite graphite showed great improvement in charge-discharge performance, coulomb efficiency, and cycling behavior when used as the negative electrode in a Li-ion cell with propylene carbonate (PC)-based electrolyte. For ex...

In concern of resource sustainability and environmental friendliness, organic electrode materials for rechargeable batteries have attracted increasing attentions in recent years. However, for many researchers, the primary impression on organic cathode materials is the poor cycling stability and low energy density, mainly due to the unfavorable dissolution and low redox potential, respectively. ...