Gold is an electron-rich metal with a high electronegativity comparable to that of sulfur. Hence, hydrogen bonds of the Au(I)···H-E (E = electronegative element) type should be possible, but their existence is still under debate. Experimental results are scarce and often contradictory. As guidance for possible preparative work, we have theoretically investigated (ppyH)Au(SPh) (ppy = 2-phenylpyridine) bearing two monoanionic ligands which are not strongly electronegative at the same time to further increase the charge density on the gold(I) atom. The protonated pyridine nitrogen atom in ppy is geometrically ideally suited to place a proton in close proximity to the gold atom in a favorable geometry for a classical hydrogen bond arrangement. Indeed, the results of the calculations indicate that the hydrogen bonded conformation of (ppyH)Au(SPh) represents a minimum geometry with bond metrics in the expected range for medium-strong hydrogen bonds [r(N-H) = 1.043 Å, r(H···Au) = 2.060 Å, a(N-H···Au) = 141.4°]. The energy difference between the conformer containing the H···Au bond and another conformer without a hydrogen bond amounts to 7.8 kcal mol, which might serve as an estimate of the hydrogen bond strength. Spectroscopic properties were calculated, yielding further characteristics of such hydrogen bonded gold species.
Nanostructured H2V3O8 is a promising high‐capacity cathode material, suitable not only for Li+ but also for Na+, Mg2+, and Zn2+ insertion. However, the full theoretical capacity for Li+ insertion has not been demonstrated experimentally so far. In addition, improvement of cycling stability is desirable. Modifications like substitution or prelithiation are possibilities to enhance the electrochemical performance of electrode materials. Here, for the first time, the substitution of vanadium sites in H2V3O8 with molybdenum was achieved while preserving the nanostructure by combining a soft chemical synthesis approach with a hydrothermal process. The obtained Mo‐substituted vanadate nanofibers were further modified by prelithiation. While pristine H2V3O8 showed an initial capacity of 223 mAh g−1 and a retention of 79 % over 30 cycles, combining Mo substitution and prelithiation led to a superior initial capacity of 312 mAh g−1 and a capacity retention of 94 % after 30 cycles.
The growing demand for bioelectronics has generated widespread interest in implantable energy storage. These implantable bioelectronic devices, powered by a complementary battery/capacitor system, have faced difficulty in miniaturization without compromising their functionality. This paper reports on the development of a promising high‐rate cathode material for implantable power sources based on Li‐exchanged Na1.5VOPO4F0.5 anchored on reduced graphene oxide (LNVOPF‐rGO). LNVOPF is unique in that it offers dual charge storage mechanisms, which enable it to exhibit mixed battery/capacitor electrochemical behavior. In this work, electrochemical Li‐ion exchange of the LNVOPF structure is characterized by operando X‐ray diffraction. Through designed nanostructuring, the charge storage kinetics of LNVOPF are improved, as reflected in the stored capacity of 107 mAh g−1 at 20C. A practical full cell device composed of LNVOPF and T‐Nb2O5, which serves as a pseudocapacitive anode, is fabricated to demonstrate not only high energy/power density storage (100 Wh kg−1 at 4000 W kg−1) but also reliable pulse capability and biocompatibility, a desirable combination for applications in biostimulating devices. This work underscores the potential of miniaturizing biomedical devices by replacing a conventional battery/capacitor couple with a single power source.
Li 2 CoPO 4 F has been synthesized via a novel two-step reaction from a solvothermally prepared precursor mixture of LiCoPO 4 and LiF. Solvent influences were monitored by powder X-ray diffraction and the reaction conditions for the conversion of the precursor mixture to Li 2 CoPO 4 F were optimized. In addition, the obtained materials were characterized before and after carbon-coating by SEM, N 2 sorption, elemental and thermogravimetric analysis. The electrochemical performance of the products as high-voltage cathode materials in a coin-cell was tested, and long term stability over 50 charge/discharge cycles could be demonstrated.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.