Low-Lying Isomers of (TiO\begin{document}$_{2}$\end{document})\begin{document}$_{n}$\end{document} (\begin{document}${n}$\end{document}=2-8) Clusters

Although there are diverse bond features of Ti and O atoms, so far only several isomers have been reported for each (TiO\begin{document}$_2$\end{document})\begin{document}$_n$\end{document} cluster. Instead of the widely used global optimization, in this work, we search for the low-lying isomers of (TiO\begin{document}$_2$\end{document})\begin{document}$_n$\end{document} (\begin{document}$n$\end{document}=2\begin{document}$-$\end{document}8) clusters with up to 10000 random sampling initial structures. These structures were optimized by the PM6 method, followed by density functional theory calculations. With this strategy, we have located many more low-lying isomers than those reported previously. The number of isomers increases dramatically with the size of the cluster, and about 50 isomers were found for (TiO\begin{document}$_2$\end{document})\begin{document}$_7$\end{document} and (TiO\begin{document}$_2$\end{document})\begin{document}$_8$\end{document} with the energy within kcal/mol. Furthermore, new lowest isomers have been located for (TiO\begin{document}$_2$\end{document})\begin{document}$_5$\end{document} and (TiO\begin{document}$_2$\end{document})\begin{document}$_8$\end{document}, and isomers with three terminal oxygen atoms, five coordinated oxygen atoms as well as six coordinated titanium atoms have been located. Our work highlights the diverse structural features and a large number of isomers of small TiO\begin{document}$_2$\end{document} clusters.     

"Dry" NiCo\begin{document}$_\textbf{2}$\end{document}O\begin{document}$_\textbf{4}$\end{document} Nanorods for Electrochemical Non-enzymatic Glucose Sensing

A rod-like NiCo\begin{document}$_2$\end{document}O\begin{document}$_4$\end{document} modified glassy carbon electrode was fabricated and used for non-enzymatic glucose sensing. The NiCo\begin{document}$_2$\end{document}O\begin{document}$_4$\end{document} was prepared by a facile hydrothermal reaction and subsequently treated in a commercial microwave oven to eliminate the residual water introduced during the hydrothermal procedure. Structural analysis showed that there was no significant structural alteration before and after microwave treatment. The elimination of water residuals was confirmed by the stoichiometric ratio change by using element analysis. The microwave treated NiCo\begin{document}$_2$\end{document}O\begin{document}$_4$\end{document} (M-NiCo\begin{document}$_2$\end{document}O\begin{document}$_4$\end{document}) showed excellent performance as a glucose sensor (sensitivity 431.29 \begin{document}$\mu $\end{document}A\begin{document}$\cdot$\end{document}mmol/L\begin{document}$^{-1}$\end{document}\begin{document}$\cdot$\end{document}cm\begin{document}$^{-2}$\end{document}). The sensing performance decreases dramatically by soaking the M-NiCo\begin{document}$_2$\end{document}O\begin{document}$_4$\end{document} in water. This result indicates that the introduction of residual water during hydrothermal process strongly affects the electrochemical performance and microwave pre-treatment is crucial for better sensory performance.     

Enhanced Oxygen Reduction on Graphene via Y\begin{document}$_5$\end{document}Si\begin{document}$_3$\end{document} Electride Substrate: a First-Principles Study

Manipulating the chemical reactivity of graphene toward oxygen reduced reduction (ORR) is of particular interest for both fundamental research and practical application in fuel cell. Deposing graphene on selected substrate provides a structure-intact strategy to enhance its chemical reactivity due to substrate-induced charge and interface effect. Here, we report the graphene deposited on one-dimensional electride Y\begin{document}$_5$\end{document}Si\begin{document}$_3$\end{document} as an effective ORR catalyst in acidic media. Thermodynamic calculations suggest that depositing graphene on electride materials can facilitate the protonation of O\begin{document}$_2$\end{document}, which is the rate-determining step based on the four-electron reaction pathway and thus promote the ORR activity. Further electronic calculations reveal that low work function (3.5 eV), superior electrical conductivity and slight charge transfer from substrate to graphene result in the enhanced ORR performance of graphene. These findings shed light on the rational design of ORR catalysts based on graphitic materials and emphasize the critical role of substrates for energy-related electrochemical reactions.     

3D Macro-Micro-Mesoporous FeC\begin{document}$_{2}$\end{document}O\begin{document}$_{4}$\end{document}/Graphene Hydrogel Electrode for High-Performance 2.5 V Aqueous Asymmetric Supercapacitors

Distinguished from commonly used Fe\begin{document}$_2$\end{document}O\begin{document}$_3$\end{document} and Fe\begin{document}$_3$\end{document}O\begin{document}$_4$\end{document}, a three-dimensional multilevel macro-micro-mesoporous structure of FeC\begin{document}$_2$\end{document}O\begin{document}$_4$\end{document}/graphene composite has been prepared as binder-free electrode for supercapacitors. The as-prepared materials are composed of macroporous graphene and microporous/mesoporous ferrous oxalate. Generally, the decomposition voltage of water is 1.23 V and the practical voltage window limit is about 2 V for asymmetric supercapacitors in aqueous electrolytes. When FeC\begin{document}$_2$\end{document}O\begin{document}$_4$\end{document}/rGO hydrogel was used as the negative electrode and a pure rGO hydrogel was used as the positive electrode, the asymmetrical supercapacitor voltage window raised to 1.7 V in KOH (1.0 mol/L) electrolyte and reached up to 2.5 V in a neutral aqueous Na\begin{document}$_2$\end{document}SO\begin{document}$_4$\end{document} (1.0 mol/L) electrolyte. Correspondingly it also exhibits a high performance with an energy density of 59.7 Wh/kg. By means of combining a metal oxide that owns micro-mesoporous structure with graphene, this work provides a new opportunity for preparing high-voltage aqueous asymmetric supercapacitors without addition of conductive agent and binder.     

Delocalized \begin{document}$\pi_3^6$\end{document} Bond in OX\begin{document}$_2$\end{document} (X=Halogen) Molecules

OX\begin{document}$_2$\end{document} (X=halogen) molecules was studied theoretically. Calculation results show that delocalized \begin{document}$\pi_3^6$\end{document} bonds exist in their electronic structures and O atoms adopt the sp\begin{document}$^2$\end{document} type of hybridization, which violates the prediction of the valence shell electron pair repulsion theory of sp\begin{document}$^3$\end{document} type. Delocalization stabilization energy is proposed to measure the contribution of delocalized \begin{document}$\pi_3^6$\end{document} bond to energy decrease and proves to bring extra-stability to the molecule. These phenomena can be summarized as a kind of coordinating effect.     

Roaming Dynamics of H+C\begin{document}$_{2}$\end{document}D\begin{document}$_{2}$\end{document} Reaction on Fundamental-Invariant Neural Network Potential Energy Surface

We performed extensive quasiclassical trajectory calculations for the H+C\begin{document}$_2$\end{document}D\begin{document}$_2$\end{document}\begin{document}$\rightarrow$\end{document}HD+C\begin{document}$_2$\end{document}D/D\begin{document}$_2$\end{document}+C\begin{document}$_2$\end{document}H reaction based on a recently developed, global and accurate potential energy surface by the fundamental-invariant neural network method. The direct abstraction pathway plays a minor role in the overall reactivity, which can be negligible as compared with the roaming pathways. The acetylene-facilitated roaming pathway dominates the reactivity, with very small contributions from the vinylidene-facilitated roaming. Although the roaming pathways proceed via the short-lived or long-lived complex forming process, the computed branching ratio of product HD to D\begin{document}$_2$\end{document} is not far away from 2:1, implying roaming dynamics for this reaction is mainly contributed from the long-lived complex-forming process. The resulting angular distributions for the two product channels are also quite different. These computational results give valuable insights into the significance and isotope effects of roaming dynamics in the biomolecular reactions.     

Ag-Cu Nanoparticles Supported on N-Doped TiO\begin{document}$_2$\end{document} Nanowire Arrays for Efficient Photocatalytic CO\begin{document}$_2$\end{document} Reduction

Photocatalytic reduction of CO\begin{document}$_2$\end{document} into various types of fuels has attracted great interest, and serves as a potential solution to addressing current global warming and energy challenges. In this work, Ag-Cu nanoparticles are densely supported on N-doped TiO\begin{document}$_2$\end{document} nanowire through a straightforward nanofabrication approach. The range of light absorption by N-doped TiO\begin{document}$_2$\end{document} can be tuned to match the plasmonic band of Ag nanoparticles, which allows synergizing a resonant energy transfer process with the Schottky junction. Meanwhile, Cu nanoparticles can provide active sites for the reduction of CO\begin{document}$_2$\end{document} molecules. Remarkably, the performance of photocatalytic CO\begin{document}$_2$\end{document} reduction is improved to produce CH\begin{document}$_4$\end{document} at a rate of 720 \begin{document}$\mu$\end{document}mol\begin{document}$\cdot$\end{document}g\begin{document}$^{-1}$\end{document}\begin{document}$\cdot$\end{document}h\begin{document}$^{-1}$\end{document} under full-spectrum irradiation.     

\begin{document}$ \mathit{{Ab}} $\end{document} \begin{document}$ \mathit{{initio}} $\end{document} Molecular Dynamics Study of Adsorption of Hydroxyl Groups on Graphene Surface

Reduced graphene oxide is the precursor to produce graphene in a large scale; however, to date, there has been no consensus on the electronic structure of reduced graphene oxide. In this study, we carried out an \begin{document}$ ab $\end{document} \begin{document}$ initio $\end{document} molecular dynamics simulation to investigate the adsorption process of hydroxyl groups on graphene surface. During the adsorption process, the OH group needs to firstly pass through a physical adsorption complex with the OH above the bridge site of two carbon atoms, next to surmount a transition state, then to be adsorbed at the atop site of a carbon atom. With a 5\begin{document}$ \times $\end{document}5 graphene surface, up to 6 hydroxyl groups can be adsorbed on the graphene surface, indicating the concentration coverage of the hydroxyl groups on graphene surface is about 12%. The simulation results show that the negative adsorption energy increases linearly as the number of adsorbed hydroxyl groups increases, and the band gap also increases linearly with the number of adsorbed hydroxyl groups.     

Gamma Ray Radiation Effect on \begin{document}$\rm{{Bi}}_{2}$\end{document}W\begin{document}$\rm{{O}}_{6}$\end{document} Photocatalyst

The development of \begin{document}$\rm{Bi}_2$\end{document}W\begin{document}$\rm{O}_6$\end{document}-based materials has become one of research hotspots due to the increasing demands on high-efficient photocatalyst responding to visible light. In this work, the effect of high energy radiation (\begin{document}$\gamma$\end{document}-ray) on the structure and the photocatalytic activity of \begin{document}$\rm{Bi}_2$\end{document}W\begin{document}$\rm{O}_6$\end{document} nanocrystals was first studied. No morphological change of \begin{document}$\rm{Bi}_2$\end{document}W\begin{document}$\rm{O}_6$\end{document} nanocrystals was observed by SEM under \begin{document}$\gamma$\end{document}-ray radiation. However, the XRD spectra of the irradiated \begin{document}$\rm{Bi}_2$\end{document}W\begin{document}$\rm{O}_6$\end{document} nanocrystals showed the characteristic 2\begin{document}$\theta$\end{document} of (113) plane shifts slightly from 28.37\begin{document}$^{\rm{o}}$\end{document} to 28.45\begin{document}$^{\rm{o}}$\end{document} with the increase of the absorbed dose, confirming the change in the crystal structure of \begin{document}$\rm{Bi}_2$\end{document}W\begin{document}$\rm{O}_6$\end{document}. The XPS results proved the crystal structure change was originated from the generation of oxygen vacancy defects under high-dose radiation. The photocatalytic activity of \begin{document}$\rm{Bi}_2$\end{document}W\begin{document}$\rm{O}_6$\end{document} on the decomposition of methylene blue (MB) in water under visible light increases gradually with the increase of absorbed dose. Moreover, the improved photocatalytic performance of the irradiated \begin{document}$\rm{Bi}_2$\end{document}W\begin{document}$\rm{O}_6$\end{document} nanocrystals remained after three cycles of photocatalysis, indicating a good stability of the created oxygen vacancy defects. This work gives a new simple way to improve photocatalytic performance of \begin{document}$\rm{Bi}_2$\end{document}W\begin{document}$\rm{O}_6$\end{document} through creating oxygen vacancy defects in the crystal structure by \begin{document}$\gamma$\end{document}-ray radiation.     

在ADC(2)水平上通过从头算非绝热动力学方法模拟硝酸甲酯的光解（英文）

在ADC(2)水平上通过轨线面跳跃方法模拟了硝酸甲酯的非绝热动力学.结果证实该体系存在快速的非绝热动力学过程,导致了体系回到电子基态.当动力学从S₁和S₂电子态开始时,光解产物是CH₃O+NO₂,这个发现与实验研究的结果以及更高精度的XMS-CASPT2水平上模拟出的结果一致.在ADC(2)水平上,当动力学从S₃态开始时,光解产物依然是CH₃O+NO₂.该研究表明:ADC(2)方法可用于研究硝酸甲酯在长波下的光解机理,然而无法用于理解其在短波段下的光解动力学.本文为在ADC(2)水平上处理类似化合物的光诱导过程提供了有价值的信息.     

CO\begin{document}$ _{2} $\end{document} Reduction on Metal-Doped SnO\begin{document}$ _{2} $\end{document}(110) Surface Catalysts: Manipulating the Product by Changing the Ratio of Sn:O

The electrocatalytic carbon dioxide reduction reaction (CO₂RR) producing HCOOH and CO is one of the most promising approaches for storing renewable electricity as chemical energy in fuels. SnO₂ is a good catalyst for CO₂-to-HCOOH or CO₂-to-CO conversion, with different crystal planes participating the catalytic process. Among them, (110) surface SnO₂ is very stable and easy to synthesisze. By changing the ratio of Sn: O for SnO₂(110), we have two typical SnO₂ thin films: fully oxidized (stoichiometric) and partially reduced. In this work, we are concerned with different metals (Fe, Co, Ni, Cu, Ru, Rh, Pd, Ag, Os, Ir, Pt, and Au)-doped SnO₂(110) with different activity and selectivity for CO₂RR. All these changes are manipulated by adjusting the ratio of Sn: O in (110) surface. The results show that stochiometric and reduced Cu/Ag doped SnO₂(110) have different selectivity for CO₂RR. More specifically, stochiometric Cu/Ag-doped SnO₂(110) tends to generate CO(g). Meanwhile, the reduced surface tends to generate HCOOH(g). Moreover, we also considered the competitive hydrogen evolution reaction (HER). The catalysts SnO₂(110) doped by Ru, Rh, Pd, Os, Ir, and Pt have high activity for HER, and others are good catalysts for CO₂RR.     

Imaging HNCO Photodissociation at 201 nm: State-to-State Correlations between CO (\begin{document}$X^1{\Sigma}^+$\end{document}) and NH (\begin{document}${a}^1{\Delta}$\end{document})

The NH(\begin{document}$a^1$\end{document}\begin{document}$\Delta$\end{document})+CO(\begin{document}$X^1$\end{document}\begin{document}$\Sigma^+$\end{document}) product channel for the photodissociation of isocyanic acid (HNCO) on the first excited singlet state S\begin{document}$_1$\end{document} has been investigated by means of time-sliced ion velocity map imaging technique at photolysis wavelengths around 201 nm. The CO product was detected through (2+1) resonance enhanced multiphoton ionization (REMPI). Images were obtained for CO products formed in the ground and vibrational excited state (\begin{document}$v$\end{document}=0 and \begin{document}$v$\end{document}=1). The energy distributions and product angular distributions were obtained from the CO velocity imaging. The correlated NH(\begin{document}$a^1\Delta$\end{document}) rovibrational state distributions were determined. The vibrational branching ratio of \begin{document}$^1$\end{document}NH (\begin{document}$v$\end{document}=1/\begin{document}$v$\end{document}=0) increases as the rotational state of CO(\begin{document}$v$\end{document}=0) increases initially and decreases afterwards, which indicates a special state-to-state correlation between the \begin{document}$.1$\end{document}NH and CO products. About half of the available energy was partitioned into the translational degree of freedom. The negative anisotropy parameter \begin{document}$\beta$\end{document} indicates that it is a vertical direct dissociation process.     

Electrochemical Study on Hydrogen Evolution and \begin{document}${\rm C}\rm{O}$\end{document}\begin{document}$_\rm{2}$\end{document} Reduction on Pt Electrode in Acid Solutions with Different pH

Hydrogen evolution reaction (HER) is the major cathodic reaction which competes \begin{document}${\rm C}\rm{O}_\rm{2}$\end{document} reduction reaction (\begin{document}${\rm C}\rm{O}_\rm{2}$\end{document} RR) on Pt electrode. Molecular level understanding on how these two reactions interact with each other and what the key factors are of \begin{document}${\rm C}\rm{O}_\rm{2}$\end{document} RR kinetics and selectivity will be of great help in optimizing electrolysers for \begin{document}${\rm C}\rm{O}_\rm{2}$\end{document} reduction. In this work, we report our results of hydrogen evolution and \begin{document}${\rm C}\rm{O}_\rm{2}$\end{document} reduction on Pt(111) and Pt film electrodes in \begin{document}${\rm C}\rm{O}_\rm{2}$\end{document} saturated acid solution by cyclic voltammetry and infrared spectroscopy. In solution with pH > 2, the major process is HER and the interfacial pH increases abruptly during HER; \begin{document}${\rm C}\rm{O}_\rm{ad}$\end{document} is the only adsorbed intermediate detected in \begin{document}${\rm C}\rm{O}_\rm{2}$\end{document} reduction by infrared spectroscopy; the rate for \begin{document}${\rm C}\rm{O}_\rm{ad}$\end{document} formation increases with the coverage of UPD-H and reaches maximum at the onset potential for HER; the decrease of \begin{document}${\rm C}\rm{O}_\rm{ad}$\end{document} formation under HER is attributed to the available limited sites and the limited residence time for the reduction intermediate (\begin{document}$\rm{H}_\rm{ad}$\end{document}), which is necessary for \begin{document}${\rm C}\rm{O}_\rm{2}$\end{document} adsorption and reduction.     

Intra- and Intermolecular Rovibrational States of HCl-H\begin{document}$ _\textbf{2} $\end{document}O and DCl-H\begin{document}$ _\textbf{2} $\end{document}O Dimers from Full-Dimensional and Fully Coupled Quantum Calculations

We report full-dimensional and fully coupled quantum bound-state calculations of the \begin{document}$ J $\end{document} = 1 intra- and intermolecular rovibrational states of two isotopologues of the hydrogen chloride-water dimer, HCl-H\begin{document}$ _2 $\end{document}O (HH) and DCl-H\begin{document}$ _2 $\end{document}O (DH). The present study complements our recent theoretical investigations of the \begin{document}$ J $\end{document} = 0 nine-dimensional (9D) vibrational level structure of these and two other H/D isotopologues of this noncovalently bound molecular complex, and employs the same accurate 9D permutation invariant polynomial-neural network potential energy surface. The calculations yield all intramolecular vibrational fundamentals of the HH and DH dimers and the low-energy intermolecular rovibrational states in these intramolecular vibrational manifolds. The results are compared with those of the 9D \begin{document}$ J $\end{document} = 0 calculations of the same dimers. The energy differences between the \begin{document}$ K $\end{document} = 1 and \begin{document}$ K $\end{document} = 0 eigenstates exhibit pronounced variations with the intermolecular rovibrational states, for which a qualitative explanation is provided.     

Theoretical Study of Hydrogen-Bond Interactions of CO\begin{document}$ _\textbf{2} $\end{document} in Organic Absorbent 1, 3-Diphenylguanidine

Carbon capture and storage technology have been rapidly developed to reduce the carbon dioxide (CO\begin{document}$ _2 $\end{document}) emission into the environment. It has been found that the amine-based organic molecules could absorb CO\begin{document}$ _2 $\end{document} efficiently and form the bicarbonate salts through hydrogen-bond (H-bond) interactions. Recently, the aqueous 1, 3-diphenylguanidine (DPG) solution was developed to trap and convert CO\begin{document}$ _2 $\end{document} to valuable chemicals under ambient conditions. However, how the DPG molecules interact with CO\begin{document}$ _2 $\end{document} in an aqueous solution remains unclear. In this work, we perform molecular dynamics simulations to explore the atomistic details of CO\begin{document}$ _2 $\end{document} in the aqueous DPG. The simulated results reveal that the protonated DPGH\begin{document}$ ^+ $\end{document} and the bicarbonate anions prefer to form complexes through different H-bond patterns. These double H-bonds are quite stable in thermodynamics, as indicated from the accurate density functional theory calculations. This study is helpful to understand the catalytic mechanism of CO\begin{document}$ _2 $\end{document} conversion in the aqueous DPG.     

Electrosynthesis of Highly Efficient WO\begin{document}$_{3-x}$\end{document}/Graphene (Photo-)Electro- Catalyst by Two-Electrode Electrolysis System for Oxygen Evolution Reaction

Integration of non-noble transition metal oxides with graphene is known to construct high-activity electrocatalysts for oxygen evolution reduction (OER). In order to avoid the complexity of traditional synthesis process, a facile electrochemical method is elaborately designed to engineer efficient WO\begin{document}$_{3-x}$\end{document}/graphene (photo-)electrocatalyst for OER by a two-electrode electrolysis system, where graphite cathode is exfoliated into graphene and tungsten wire anode evolves into V\begin{document}$_\textrm{O}$\end{document}-rich WO\begin{document}$_{3-x}$\end{document} profiting from formed reductive electrolyte solution. Among as-prepared samples, WO\begin{document}$_{3-x}$\end{document}/G-2 shows the best electrocatalytic performance for OER with an overpotential of 320 mV (without iR compensation) at 10 mA/cm\begin{document}$^2$\end{document}, superior to commercial RuO\begin{document}$_2$\end{document} (341 mV). With introduction of light illumination, the activity of WO\begin{document}$_{3-x}$\end{document}/G-2 is greatly enhanced and its overpotential decreases to 290 mV, benefiting from additional reaction path produced by photocurrent effect and extra active sites generated by photogenerated carriers (h\begin{document}$^+$\end{document}). Characterization results indicate that both V\begin{document}$_\textrm{O}$\end{document}-rich WO\begin{document}$_{3-x}$\end{document} and graphene contribute to the efficient OER performance. The activity of WO\begin{document}$_{3-x}$\end{document} for OER is decided by the synergistic effect between V\begin{document}$_\textrm{O}$\end{document} concentration and particle size. The graphene could not only disperse WO\begin{document}$_{3-x}$\end{document} nanoparticles, but also improve the holistic conductivity and promote electron transmission. This work supports a novel method for engineering WO\begin{document}$_{3-x}$\end{document}/graphene composite for highly efficient (photo-)electrocatalytic performance for OER.     

Full-Dimensional Potential Energy Surfaces of Ground (\begin{document}${\tilde X^2}$\end{document}A') and Excited (\begin{document}${\tilde{A}^2}$\end{document}A") Electronic States of HCO and Absorption Spectrum

In this work, high-fidelity full-dimensional potential energy surfaces (PESs) of the ground (\begin{document}$\tilde X^2$\end{document}A\begin{document}$'$\end{document}) and first doublet excited (\begin{document}$\tilde A^2$\end{document}A\begin{document}$"$\end{document}) electronic states of HCO were constructed using neural network method. In total, 4624 high-level ab initio points have been used which were calculated at Davidson corrected internally contracted MRCI-F12 level of theory with a quite large basis set (ACV5Z) without any scaling scheme. Compared with the results obtained from the scaled PESs of Ndengué et al., the absorption spectrum based on our PESs has slightly larger intensity, and the peak positions are shifted to smaller energy for dozens of wavenumbers. It is indicated that the scaling of potential energy may make some unpredictable difference on the dynamical results. However, the resonance energies based on those scaled PESs are slightly closer to the current available experimental values than ours. Nevertheless, the unscaled high-level PESs developed in this work might provide a platform for further experimental and theoretical photodissociation and collisional dynamic studies for HCO system.     

Stabilization of Aqueous Graphene Oxide with Acetone under \begin{document}$\gamma$\end{document}-Ray/UV Irradiation

Graphene oxide (GO) is a kind of water soluble two-dimensional materials containing a large amount of oxygen-containing groups which infuse GO with water solubility, biocompatibility and functionality, etc. But GO can be easily reduced by losing oxygen-containing groups under some circumstances such as irradiation of \begin{document}$\gamma$\end{document}-ray or ultraviolet (UV). In this work, we found that acetone can significantly slow down the reduction process of GO under the irradiation of either \begin{document}$\gamma$\end{document}-ray or UV, which was supported by analysis results with UV-visible (UV-Vis) absorption spectra, X-ray photoelectron spectroscopy, etc. Acetone can capture and remove strongly reducible hydrated electrons generated under \begin{document}$\gamma$\end{document}-irradiation. GO reduction by UV also involves electron transfer process which can be affected by the presence of acetone. Hence, acetone can be used to stabilize, adjust the radiation reduction process of GO. This would be interesting not only in radiation and radiation protection, but also in understanding the redox properties of GO.     

NH\begin{document}$ _\textbf{2} $\end{document}-MIL-53(Al) for Simultaneous Removal and Detection of Fluoride Anions

To address the limitations of the separate fluoride removal or detection in the existing materials, herein, amino-decorated metal organic frameworks NH\begin{document}$ _2 $\end{document}-MIL-53(Al) have been succinctly fabricated by a sol-hydrothermal method for simultaneous removal and determination of fluoride. As a consequence, the proposed NH\begin{document}$ _2 $\end{document}-MIL-53(Al) features high uptake capacity (202.5 mg/g) as well as fast adsorption rate, being capable of treating 5 ppm of fluoride solution to below the permitted threshold in drinking water within 15 min. Specifically, the specific binding between fluoride and NH\begin{document}$ _2 $\end{document}-MIL-53(Al) results in the release of fluorescent ligand NH\begin{document}$ _2 $\end{document}-BDC, conducive to the determination of fluoride via a concentration-dependent fluorescence enhancement effect. As expected, the resulting NH\begin{document}$ _2 $\end{document}-MIL-53(Al) sensor exhibits selective and sensitive detection (with the detection limit of 0.31 \begin{document}$ \mu $\end{document}mol/L) toward fluoride accompanied with a wide response interval (0.5-100 \begin{document}$ \mu $\end{document}mol/L). More importantly, the developed sensor can be utilized for fluoride detection in practical water systems with satisfying recoveries from 89.6% to 116.1%, confirming its feasibility in monitoring the practical fluoride-contaminated waters.