A universal methodology to efficiently improve the photocatalyst performance of semiconductors was developed by employing exfoliated RuO2 two-dimensional nanosheets as a conducting hybridization matrix. The hybridization with a RuO2 nanosheet is easily achieved by crystal growth or electrostatically derived anchoring of semiconductor nanocrystals on the RuO2 nanosheet. An enhanced chemical interaction of inorganic semiconductor with hydrophilic RuO2 nanosheet is fairly effective in optimizing their photocatalytic activity and photostability by the enhancement of charge separation and charge mobility. The RuO2 -containing nanohybrids show much better photocatalyst functionalities than do the graphene-containing ones. The present study clearly demonstrates that hydrophilic RuO2 nanosheets are superior hybridization matrices, over the widely used hydrophobic graphene nanosheets, for exploring new efficient hybrid-type photocatalysts.

energy density (372 mAh g −1 ), which is not sufficient to meet the increasing energy density demand for electric vehicles, portable electronic devices, and large-scale energy storage systems. [4,5] This motivates reviving Li-metal as a prospective anode material that could provide more than tenfold higher capacity (3860 mAh g −1 ), low electrochemical potential (−3.04 V vs the standard hydrogen electrode, SHE), and low gravimetric density (0.534 g cm −3 ). [6,7] These advantages make application of Li anode batteries indispensable for next generation energy-storage devices, such as Li-S and Li-air batteries.Despite the great potential of high energy density batteries, commercialization of Li-metal batteries (LMBs) is hindered by poor cycling performance and severe safety issues originating from the high reactivity of Limetal. [7] In addition to dendrite growth, Li reacts instantaneously with electrolytes, resulting in formation of a chemically unstable and mechanically fragile surface film referred to as the solid electrolyte interphase (SEI). [8,9] Since the SEI plays an important role in battery stability and performance, extensive research has been conducted to investigate and improve SEI properties, including optimization of electrolyte compositions, [10] application of solid electrolytes, [11] and construction of artificial SEI layers. [12] In addition, significant efforts have been made to investigate the SEI compositions and morphology using such techniques as X-ray photo electron spectroscopy, [13] mass spectrometry, [14] and nuclear magnetic resonance. [15] However, the atomistic structure and properties of the electrode/ electrolyte interface, particularly the evolution of SEI growth, remain poorly understood. The complexity of the chemical and electrochemical reactions at the interface makes it most difficult to carry out direct experimental measurements of the SEI formation process beyond chemical composition to provide the detailed information needed to develop improved materials and devices.Given the great difficulties for experimental assessment of the atomistic details of the SEI, we have applied quantum mechanics (QM) based molecular dynamics (MD) approaches to provide fundamental information about the reactions at the interface between Li-metal and electrolyte molecules at the atomistic level. [16][17][18] However such QM studies are generally limited to <300 atoms and <100 picoseconds (ps) due to extremely high computational costs, limiting applications of QM-MD to very simplistic studies at the 2-3 nm scale of the The solid electrolyte interphase (SEI) forms on electrode surfaces from decomposition of the electrolyte. However, there is almost no atomistic detail of SEI formation on Li metal anode, a major obstacle in understanding the highly complex battery electrochemistry sufficiently to design high performance batteries. Herein, a realistic atomistic model (39 000 atoms) for the SEI formation at the interface between the Li metal anode and ionic liquid electrolyte using reactive molecular ...

A universal methodology to efficiently improve the photocatalyst performance of semiconductors was developed by employing exfoliated RuO2 two‐dimensional nanosheets as a conducting hybridization matrix. The hybridization with a RuO2 nanosheet is easily achieved by crystal growth or electrostatically derived anchoring of semiconductor nanocrystals on the RuO2 nanosheet. An enhanced chemical interaction of inorganic semiconductor with hydrophilic RuO2 nanosheet is fairly effective in optimizing their photocatalytic activity and photostability by the enhancement of charge separation and charge mobility. The RuO2‐containing nanohybrids show much better photocatalyst functionalities than do the graphene‐containing ones. The present study clearly demonstrates that hydrophilic RuO2 nanosheets are superior hybridization matrices, over the widely used hydrophobic graphene nanosheets, for exploring new efficient hybrid‐type photocatalysts.

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Ionic liquids (ILs) are promising electrolytes for high-performance Li-ion batteries (LIBs), which can significantly improve the safety and energy storage capacity. Although extensive experimental and computational studies have reported, further exploration is needed to understand the properties of IL systems, their microscopic structures and dynamics, and the behavior of Li ions in ILs. We report here results of molecular dynamics simulations as a function of electric field for Li diffusion in two IL systems, [EMIM][TFSI] and [BMIM][TFSI] doped with various concentrations of LiTFSI. We find that the migration of each individual Li ion depends largely on its micro-environment, leading to differences by factors of up to 100 in the diffusivity. The structural and dynamical properties indicate that Li diffusion is affected significantly by the coordination and interaction with the oxygen species in the TFSI anions. Moreover, the IL cations also contribute to the Li diffusion mechanism by attenuating the Li-TFSI interaction.