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A new in-vessel water-cooled coil has been placed below the lower tungsten-covered divertor in EAST, aiming at moving the strike points in the divertor and spreading the heat flow on the targets. To achieve controlled movement of the strike points by the plasma control system (PCS) when applying the in-vessel coil, the plasma equilibrium configurations are predicted by the tokamak equilibrium (TEQ) code. The divertor coil current is involved in these calculations. The shape control parameters in the PCS are adjusted according to the predesigned equilibria from the TEQ code. The strike point movement over a wide range has been achieved in the experiment while keeping the main plasma stable. Thus, this method for divertor strike point movement with the assistance of the divertor coil is feasible. [ABSTRACT FROM AUTHOR]

We report detailed investigations of the structure, magnetic properties, electronic transport, and specific heat in Mn-based antiperovskite compounds Mn3Cu0.5Zn0.5N. Most strikingly, there are several fascinating features: (i) The magnetoresistance at 30 kOe (40 kOe) exceeds ~1% (~2%) over a temperature span of ~70K (~25 K) from 5 to 140 K; (ii) magnetoresistance fluctuates at temperatures of 100-200 K, including an obvious sign reversal from negative to positive at ~140 K. Analysis of the specific heat reveals that the magnetoresistance reversal may originate from the reconstruction of the Fermi surface accompanying an antiferromagnetic-ferromagnetic transition. [ABSTRACT FROM AUTHOR]

Abrasive slurry jet (ASJ) is a promising technology to process a variety of materials with advantages of high flexibility, no heat affected zone and high cutting efficiency. In this paper, the impressions generated on a quartz crystal specimen by the impacts of micro-particles laden in a water flow and the associated impact erosion mechanisms are presented and discussed in order to effectively and efficiently control the machining quality. Both brittle and ductile mode erosions coexist in the machining process due to the influence of the fluid motion on the trajectories of particles near the target surface. Large-scale craters produced by brittle conchoidal fractures associated with crashed zone, radial and lateral cracks, dominate the erosion process at large jet impact angles while small-scale craters involving micro-ploughing and micro-cutting are produced by the ductile mode erosion at small jet impact angles. The relation between the process parameters and the overall average volume of craters has also been quantitatively analyzed. A combination of small jet impact angle and abrasive particles and low water pressure is preferred for improving the surface quality after the ASJ machining process caused by the more formation of ductile mode induced craters on the target material, but it is at the sacrifice of the material removal rate as well. [ABSTRACT FROM AUTHOR]

We present a comparative study for the electrochemical insertion of different cations into a nanostructured vanadium oxide material. The oxide is hydrothemally synthesized and electrically characterized by variable temperature measurements. The electrochemical reactions are performed in aqueous chloride solutions of lithium, sodium, potassium, and ammonium, and the electrochemical behavior of various cycles are correlated with visual changes in the vanadium oxide nanosheets as observed by scanning electron microscopy. We note an increase in the specific charge per cycle in the cases of sodium and ammonium ions only, correlated with minimal physical changes to the nanosheets. The differing behavior of the various ions has implications for their use in electrical energy storage applications. [ABSTRACT FROM AUTHOR]

The electron energy probability functions (EEPFs) were measured with increasing gas pressure in 60/13.56 MHz dual-frequency capacitively coupled plasma (DF-CCP) using compensated Langmiur electrostatic probe. The transition pressure of heating mode from collisionless to collisional heating in 60/13.56 MHz DF-CCP is found to be significantly lower than that in 13.56 MHz single-frequency CCP. As the pressure increases, the EEPFs change from bi-Maxwellian to Druyvesteyn type which is similar with that in 60 MHz single-frequency CCP. The pressure dependence of electron densities, effective electron temperatures, floating potentials, and plasma potentials in 60/13.56 MHz DF-CCP were measured and were compared with that in 60 MHz single-frequency CCP. The pressure dependence of these plasma parameters in 60/13.56 MHz DF-CCP is similar with that in 60 MHz single-frequency CCP. [ABSTRACT FROM AUTHOR]

By using optical emission spectroscopy, the nitrogen gas and ion rotational temperatures in capacitively coupled plasma discharges with different exciting frequencies are investigated. The rotational temperatures are acquired by comparing the measured and calculated spectra of selected transitions with a least-square procedure. It is found that N2 gas rotational temperature minimum around 13 MHz is the combined effect of ion-dominated heating and electron-dominated heating in the plasma. The influence of exciting frequency on N2+ rotational temperature is much more than that of the N2 molecule, the lower frequency, the higher N2+ rotational temperature. Also, N2+ rotational temperature is much higher than the corresponding N2 gas rotational temperature in the plasma driven by low frequencies. These experimental phenomena may be attributed to the effective ion heating and/or possible resonant heating in the bulk plasma under the low-frequency field. [ABSTRACT FROM AUTHOR]

The discharge chemistry of CHF3 in 27/2, 60/2, and 60/13.56 MHz dual-frequency capacitively coupled plasmas (DF-CCPs) is studied with actinometric optical emission spectroscopy and mass spectrometry. The frequency effect on the generation of reactive species was investigated. The reactive radicals and the density ratio of F/CF2 could be controlled by the 2 MHz rf power in 27/2 and 60/2 MHz DF-CCPs. The density ratios of F/CF2 in 27/2 and 60/2 MHz DF-CCPs are observed to increase with an increase in low-frequency power. However, this control could not be obtained in 60/13.56 MHz DF-CCP. [ABSTRACT FROM AUTHOR]

The electrical resistivity of a thermoresponsive polyurethane shape-memory polymer (SMP) filled with micron sized Ni powders is investigated in this letter. We show that, by forming conductive Ni chains under a weak static magnetic field (0.03 T), the electrical conductivity of the SMP composite in the chain direction can be improved significantly, which makes it more suitable for Joule heat induced shape recovery. In addition, Ni chains reinforce the SMP significantly but their influence on the glass transition temperature is about the same as that of the randomly distributed Ni powders. [ABSTRACT FROM AUTHOR]

Recently taking advantage of the novel diffraction-enhanced imaging (DEI) method, one very effective and practical phase contrast imaging technique—a new x-ray computed tomography scheme based on DEI (DEI-CT) showed promising results, really superior to those of conventional CT imaging. In this letter, we show that the application of the conventional CT reconstruction algorithm is not always satisfactory for the new DEI-CT imaging and a new mathematical framework for imaging reconstruction is presented. Experimental data collected at the Beijing synchrotron radiation facility are also discussed using the new algorithm. [ABSTRACT FROM AUTHOR]

We present a detailed study of magnetic properties of antiperovsite compound Mn3Cu0.7Ga0.3N. Ac susceptibility measurements show a peak around 'freezing temperature' (Tf), with the peak position shifting as a function of the driving frequency f and magnetic field H. Magnetic relaxation measurements show a slow decay of the remanent magnetization with time below Tf. These findings consistently demonstrate the existence of spin-glass states in Mn3Cu0.7Ga0.3N. The behavior may be attributed to either a small amount of disorder, arising from the random occupation of 1a sites in the space group Pm-3m by mixed Cu/Ga atoms, or the common frustration, or both. [ABSTRACT FROM AUTHOR]

Investigating the influence of the ambient chemical environment on molecular behaviors in liposomes is crucial for understanding and manipulating cellular vitality as well as the capabilities of lipid drug carriers in various environments. Here, we designed and synthesized a second harmonic generation (SHG) and fluorescence probe molecule called Pyr-Py+-N+ (PPN), which possesses membrane-targeting capability. We employed PPN to investigate the response of lipid vesicles composed of cardiolipin to the presence of exogenous salt. The kinetic behaviors, including the adsorption and embedding of PPN on the surface of small unilamellar vesicles (SUVs) composed of cardiolipin, were analyzed. The response of the SUVs to the addition of NaCl was also monitored. A rapid decrease in vesicle size can be evidenced through the rapid drop in SHG emission originating from PPN located on the vesicle surface., (© 2024 Author(s). Published under an exclusive license by AIP Publishing.)

A pulsed power supply with a short rise time and high repetition frequency is favorable to driving diffusive plasma for strongly oxidizing radical (O3, OH) generation and increasing the system's energy efficiency. In this paper, a 10-stage solid-state linear transformer driver (LTD) with a nanosecond rise time is developed to drive plasma for wastewater treatment. To decrease the rise time, a control system with low jitter is developed to improve the synchronization of pulses using an optocoupler isolation chip. A 10-stage LTD with a rise time of 6.2 ns is realized in the case that the rise time of the single-stage LTD is 5.4 ns. The results show that the LTD can generate pulses on a 300 Ω resistive load with a repetition frequency of 10 kHz, an amplitude of 8.80 kV, an overshoot less than 3.97%, and a reverse overshoot less than 4.82%. The rise time (6.2-33.0 ns), the pulse width (35.9-200.0 ns), and the fall time (10.5-27.6 ns) can be adjusted flexibly and independently by controlling the drive signals of metal oxide semiconductor field effect transistors. The pulsed generator is utilized to drive plasma in the needle-water electrode system. The preliminary experimental results show that the plasma includes abundant oxygen atoms and hydroxyl radicals with high activity, and it is suitable for wastewater treatment., (© 2024 Author(s). Published under an exclusive license by AIP Publishing.)

The Blumlein pulse forming network (PFN) has widely been used in pulsed power technology to generate square waves with short pulse widths. In this paper, we developed a repetitive frequency square wave generator based on Blumlein PFN and pseudospark switch (PSS). A Blumlein PFN with unequal capacitances has been proposed, and the PFN parameters have been optimized for better output waveforms. A single-gap PSS with a withstand voltage of 40 kV and a repetitive frequency of 100 Hz has been designed to switch the Blumlein PFN. The experiment results show that the square wave generator can output pulses with a voltage of 26 kV, a rise time of 25 ns, and a pulse width of 90 ns on a matched load of 11 Ω. It has operated steadily for 10 h with a repetitive frequency of 100 Hz, and the jitter remains at around 1 ns after 1.05 × 106 shots., (© 2024 Author(s). Published under an exclusive license by AIP Publishing.)

Synaptic behavior simulation in transistors based on MoS2 has been reported. MoS2 was utilized as the active layer to prepare ambipolar thin-film transistors. The excitatory postsynaptic current phenomenon was simulated, observing a gradual voltage decay following the removal of applied pulses, ultimately resulting in a response current slightly higher than the initial current. Subsequently, ±5 V voltages were separately applied for ten consecutive pulse voltage tests, revealing short-term potentiation and short-term depression behaviors. After 92 consecutive positive pulses, the device current transitioned from an initial value of 0.14 to 28.3 mA. Similarly, following 88 consecutive negative pulses, the device current changed, indicating long-term potentiation and long-term depression behaviors. We also employed a pair of continuous triangular wave pulses to evaluate paired-pulse facilitation behavior, observing that the response current of the second stimulus pulse was ∼1.2× greater than that of the first stimulus pulse. The advantages and prospects of using MoS2 as a material for thin-film transistors were thoroughly displayed., (© 2023 Author(s). Published under an exclusive license by AIP Publishing.)

Traditional hydrogen bonds are well-known to exhibit directionality and saturation. By contrast, gold involved hydrogen bonds (GHBs) have been extensively studied but remain lack of in-depth understanding towards the intrinsic nature and saturation property. This work exemplifies three series of complexes: [L-Au-L]-⋯(HF)n (L = H, CH3, (CH3)3; n = 1-8) containing GHBs to dig into the intrinsic nature with the aid of multiple theoretical analysis methods, finding that the formation of GHB is highly subject to orbital interactions along with steric hindrance. Moreover, the saturation level of GHBs largely depends on the ligand attached to the gold center, since different ligands typically possess varying electron-giving ability and steric volume. This work confirms the coexistence of as many as 6 GHBs for one Au atom and thoroughly studies the saturation level of GHBs, which will provide new insights into GHBs and facilitate future synthesis of more complicated gold complexes., (© 2023 Author(s). Published under an exclusive license by AIP Publishing.)

The use of linear transformer drivers (LTDs) is widely considered the most promising technological approach for the development of future pulsed-power accelerators. In large-scale pulsed-power accelerators, abnormal conditions like switch prefire can occur frequently during tests and normal operations due to the presence of a large number of switches. The diagnosis of such faults based on signature waveforms requires further investigation. According to previous research, the characteristics of the magnetic cores greatly influence the fault waveforms. In this paper, a full-cycle mathematical model of the magnetic core is established utilizing a classical Preisach model based on experimental results. This model is coupled with the LTD circuit model in simulations, and simulation results are obtained under the condition of switch prefire. The simulation results are in good agreement with the experimental results from a four-stage LTD module with a sharing shell and de-ionized water insulated transmission line. The magnetization process of the cores is also determined under prefire conditions. Analyses of the magnetization process indicate that the completely demagnetized core shows high permeability under positive excitation and that the permeability abruptly decreases as the excitation is reversed. The hysteresis characteristics result in a phenomenon in which the output voltage in the prefired stage is almost unipolar. Finally, the features of the fault voltages captured in the experiments are also explained., (© 2023 Author(s). Published under an exclusive license by AIP Publishing.)

We report a joint negative ion photoelectron spectroscopy (NIPES) and quantum chemical computational study on glycine-chloride/bromide complexes (denoted Gly·X-, X = Cl/Br) in close comparison to the previously studied Gly·I- cluster ion. Combining experimental NIPE spectra and theoretical calculations, various Gly·X- complexes were found to adopt the same types of low-lying isomers, albeit with different relative energies. Despite more congested spectral profiles for Gly·Cl- and Gly·Br-, spectral assignments were accomplished with the guidance of the knowledge learned from Gly·I-, where a larger spin-orbit splitting of iodine afforded well-resolved, recognizable spectral peaks. Three canonical plus one zwitterionic isomer for Gly·Cl- and four canonical conformers for Gly·Br- were experimentally identified and characterized in contrast to the five canonical ones observed for Gly·I- under similar experimental conditions. Taken together, this study investigates both genericity and variations in binding patterns for the complexes composed of glycine and various halides, demonstrating that iodide-tagging is an effective spectroscopic means to unravel diverse ion-molecule binding motifs for cluster anions with congested spectral bands by substituting the respective ion with iodide., (© 2023 Author(s). Published under an exclusive license by AIP Publishing.)

With the development of technology, low-temperature plasma plays an increasingly important role in industrial applications. The industrial application of low-temperature plasma has the following requirements for plasma, high electron energy, low macroscopic temperature, and uniformity. Low-temperature plasma driven by nanosecond pulses reflects more significant advantages in these aspects compared to direct current plasma and alternating current plasma. In this paper, a simple topology is proposed, which is based on the pseudospark switch and the diode opening switch. A pulse generator is developed, which can eventually output pulses with an amplitude of 106 kV, a rise time of 15.5 ns, a pulse width of 46 ns, and a maximum repetition rate of 1 kHz on a 260 Ω resistive load. The pulse generator can successfully drive needle-plate discharge plasma in ambient air. It has excellent parameters, stability, compactness, and a long lifetime. The proposed topology may be helpful for nanosecond pulse generators with amplitude ranging from tens to hundreds of kilovolts, which could be widely used in industry.

Pulsed power technology is gradually forming a development trend of civil-military integration, which puts forward more requirements for pulsed power generators. This paper takes magnetic switches (MSs) as the starting point and reviews recent advancements in pulse generators based on MSs. First, the working mechanism of the MS "rapid inductance drop after magnetic core saturation" is analyzed. Second, the basic uses of MSs are introduced with specific examples, namely, magnetic compression unit, saturated pulse transformer, and magnetic delay switches. Then, the typical topologies of pulse generators based on MSs are discussed, including transmission line, Marx, Fitch, linear transformer driver, and semiconductor opening switch pumping circuits. These circuits' technical characteristics and parameter levels are highlighted. Finally, the existing problems and future development trends of MS-based solid-state pulse generators are discussed.

In recent years, several novel avalanche transistor-based power synthesis topologies have been proposed to improve the output performance of pulse generators based on avalanche transistors. The most promising is the topology based on avalanche transistors Marx Bank Circuits (MBCs) and linear transformer driver (LTD). However, it suffers from the same problems as other semiconductor switch-based LTD generators. The greater the number of LTD modules, the higher the requirements for synchronization and drive capability of the trigger system. This paper proposes a new self-triggering topology for pulse generators based on avalanche transistors MBCs and LTD, which significantly simplifies the entire generator's requirement for trigger system synchronization and driving capability. First, the circuit topology and its operation principle are introduced. Then, three prototypes with one trigger LTD module and three self-triggering LTD modules are developed. The output characteristics are experimentally investigated. The results verify the feasibility of the proposed topology. Finally, the output amplitude and the rise time are 3.35 kV/3.7 ns, 4.12 kV/3.7 ns, and 4.88 kV/4.0 ns on a 25 Ω resistive load, respectively. All generators can operate at 1 kHz. The topology proposed in the article maximally simplifies the requirements for synchronization and drive capability of the trigger system for generators based on avalanche transistor MBCs and LTD.

Low-temperature plasma technology is widely used in various industrial fields, which require the plasma to be of large volume, diffuse, and stable. Furthermore, previous studies have shown that better plasma performance has been obtained by using generators with a high voltage, a high repetition rate, a fast rise time, and a short pulse duration. In this paper, a novel topology is proposed for such generators, which is based on magnetic switches and diode opening switches. A prototype is developed, and its output characteristics are investigated by varying essential parameters, such as the load resistance and the power supply voltage. The experimental results show that it can generate pulses with a voltage of 30.6 kV, a rise time of 7.1 ns, a pulse duration of 8.2 ns, and a maximum repetition rate of 12 kHz on a 300 Ω resistive load. The prototype has been successfully used to drive uniform plasma in ambient air. In the proposed topology, a diode is added to make the magnetic cores independent of each other, significantly simplifying the design calculation. It may help develop nanosecond solid-state generators.

Avalanche transistor Marx bank circuits (MBCs) are widely used in high voltage repetitive nanosecond pulse generators, but problems exist with respect to increasing the output voltage due to the limited pulsed current. Accordingly, a novel topology based on an avalanche transistor MBC combined with a linear transformer driver is proposed, the latter of which exhibits advantageous stress distribution and modular structure. A four-module prototype with four units in each module is developed in the laboratory. The output characteristics are investigated by varying important parameters such as the main capacitance, the number of conducting units, the number of cascaded modules, and the trigger signal time delay. The test results verify the validity of the proposed topology. For a 50 Ω resistive load, the prototype can generate pulses with an amplitude of 10.9 kV, a rise time of 3.3 ns, and a voltage superposition efficiency of 89%. The topology proposed in this paper may help to provide a method to further improve the output performance of avalanche transistor MBCs.

In this work, we report on the observation of a drastic modulation of the fluorescence emission of an anticancer drug, doxorubicin, at the lipid interface during the variation of its molecular density at the interface. The emission efficiency of doxorubicin in the lipid membrane was modulated in the range of less than 10% to above 300% that in the aqueous solution. The corresponding changes in the structure and functionality of doxorubicin on the lipid surface were analyzed with the aid of second harmonic generation and theoretical calculation. It was observed that doxorubicin molecules aggregated on the lipid membrane at a relatively high interfacial density. However, this aggregation may not cause interfacial domain large enough to alter the permeability of the lipid bilayer. At an even higher doxorubicin density, the domain of the aggregated doxorubicin molecules induced a cross-membrane transportation.

Photoelectron spectroscopy and theoretical investigations have been performed to systematically probe the intrinsic electronic properties of [Mo 6 X 14 ] 2- (X = halogen). All three PE spectra of gaseous [Mo 6 X 14 ] 2- (X = Cl, Br, I) dianions, which were generated by electrospray ionization, exhibit multiple resolved peaks in the recorded binding energy range. Theoretical investigations on the orbital structure and charge distribution were performed to support interpretation of the observed spectra and were further extended onto [Mo 6 F 14 ] 2- , a dianion that was not available for the experimental study. The measured adiabatic (ADE) and vertical detachment energies (VDE) for X = Cl-I were well reproduced by density functional theory calculations (accuracy ∼0.1 eV). Corresponding ADE/VDE values for the dianions were found to be 1.48/2.13 (calc.) and 2.30/2.65, 2.30/2.62, and 2.20/2.42 eV (all expt.) for X = F, Cl, Br, and I, respectively, showing an interesting buckled trend of electron binding energy (EBE) along the halogen series, i.e., EBE (F) ≪ EBE (Cl) ∼ EBE (Br) > EBE (I). Molecular orbital analyses indicate different mixing of metal and halogen atomic orbitals, which is strongly dependent on the nature of X, and suggest that the most loosely bound electrons are detached mainly from the metal core for X = F and Cl, but from halide ligands for X = Br and I. The repulsive Coulomb barrier (RCB), estimated from the photon energy dependent spectra, decreases with increasing halogen size, from 1.8 eV for X = Cl to 1.6 eV for X = I. Electrostatic potential modeling confirms the experimental RCB values and predicts that the most favorable electron detaching pathway should lie via the face-bridging halide ligands.

We report a joint experimental and computational study on the electronic and geometric structures of a series of NaS n - (n = 5-9) clusters. Cryogenic, size-selective, negative ion photoelectron spectroscopy was employed to obtain their photoelectron spectra, in which distinctive spectral features with electron binding energy (EBE) up to 6.4 eV are unraveled. The EBE of the first peak in each spectrum for NaS n - (n = 5-9), assigned to the transition from the ground state of the anion to the ground state of each neutral radical, was observed to increase with cluster size. The vertical detachment energies (VDEs), measured from the first peak maximum, are 3.43 ± 0.02, 3.57 ± 0.02, 3.82 ± 0.03, 3.86 ± 0.02, and 4.00 ± 0.02 eV, and the adiabatic detachment energies (ADEs), determined from the onset of the first peak, are 3.27 ± 0.05, 3.44 ± 0.05, 3.65 ± 0.05, 3.75 ± 0.05, and 3.93 ± 0.05 eV, for n = 5-9, respectively. A number of low-lying isomers of the anions were screened and identified with density functional theory calculations, showing a structural preference of a chainlike polysulfide moiety electrostatically interacting with a sodium cation for all of the clusters. The CCSD(T)/aug-cc-pVTZ calculated VDEs and ADEs are in excellent agreement with the experimental results, confirming the identified isomers. Further analyses based on excited-state transitions, molecular orbitals, and natural population charges were performed, to assign and reveal the nature of all observed spectral bands. These computational results suggest that the electron detachment process and observed excitations are mainly derived from the polysulfide chain within each NaS n - cluster. This work provides a fundamental understanding of the intrinsic molecular properties of sodium polysulfide systems, which widely exist in life science and sodium-sulfur cells.

Mass-selected heteronuclear vanadium-nickel carbonyl anions VNi(CO) n - ( n = 2-6) were investigated by photoelectron velocity-map imaging spectroscopy and quantum chemical calculations to obtain their chemical bonding and intrinsic electronic structure in the gas phase. The calculated energies (adiabatic detachment energies)/vertical detachment energies (VDEs) match well with experimental values: 1.30/1.49, 1.66/1.95, 2.22/2.48, 2.70/2.89, and 2.95/3.15 eV. The VDE value of VNi(CO) n - increases with an increase of cluster size, implying that the negative electron is stabilized upon the bonding of CO molecules. VNi(CO) 2 - consists of one bridging carbonyl and one terminal carbonyl, whose feature is different from M Ni(CO) 2 - ( M = Sc, Y, La, and Ce) with the involvement of one side-on-bonded carbonyl and one terminal CO carbonyl. The building block composed of three bridging carbonyls is favored for VNi(CO) 3 - , the structure of which persists up to n = 6. The additional CO ligands are preferentially coordinated in the terminal mode to the Ni atom at n = 4 and then to the V atom at n = 5 and 6. The results obtained in this work would provide a molecular-level understanding about chemisorbed CO molecules on alloy surfaces/interfaces, which is important to understand CO molecule activation processes.

A three dimensional microbial continuous culture model with a restrained microbial growth rate is studied in this paper. Two types of dilution rates are considered to investigate the dynamic behaviors of the model. For the unforced system, fold bifurcation and Hopf bifurcation are detected, and numerical simulations reveal that the system undergoes degenerate Hopf bifurcation. When the system is periodically forced, bifurcation diagrams for periodic solutions of period-one and period-two are given by researching the Poincaré map, corresponding to different bifurcation cases in the unforced system. Stable and unstable quasiperiodic solutions are obtained by Neimark-Sacker bifurcation with different parameter values. Periodic solutions of various periods can occur or disappear and even change their stability, when the Poincaré map of the forced system undergoes Neimark-Sacker bifurcation, flip bifurcation, and fold bifurcation. Chaotic attractors generated by a cascade of period doublings and some phase portraits are given at last.

Low-dimensional molecular motifs with diversity developed via the on-surface chemistry are attracting growing interest for their potential in advanced nanofabrication. In this work, scanning tunneling microscopy was employed to investigate the in situ and ex situ metal coordinations between 4,4'-ditetradecyl-2,2'-bipyridine (bpy) and Zn(ii) or Cu(ii) ions at a highly oriented pyrolytic graphite (HOPG)/1-phenyloctane interface under ambient conditions. The results demonstrate that the bpy adopts a flat-lying orientation with its substituted alkyl chains in a tail-to-tail arrangement in a bpy monolayer. For the in situ coordination, the bpy/Zn(ii) and bpy/Cu(ii) complexes are aligned in edge-on fashions, wherein the bpy stands vertically on the HOPG surface and interdigitates at the alkyl chains. In the two-dimensional arrays of ex situ coordinated complexes, metal dependent motifs have been observed with Zn(ii) and Cu(ii), wherein the bipyridine moieties are parallel to the graphite surface. These results suggest that the desired on-surface coordination architectures may be achieved by the intentional selection of the metal centers.

The heteronuclear metal carbonyl anions MNi(CO)3(-) (M = Mg, Ca, Al) have been investigated using photoelectron velocity-map imaging spectroscopy. Electron affinities of neutral MNi(CO)3 (M = Mg, Ca, Al) are measured from the photoelectron spectra to be 1.064 ± 0.063, 1.050 ± 0.064, and 1.541 ± 0.040 eV, respectively. The C-O stretching mode in these three clusters is observed and the vibrational frequency is determined to be 2049, 2000, and 2041 cm(-1) for MgNi(CO)3, CaNi(CO)3, and AlNi(CO)3, respectively. Density functional theory calculations are carried out to elucidate the geometric and electronic structures and to aid the experimental assignments. It has been found that three terminal carbonyls are preferentially bonded to the nickel atom in these heterobinuclear nickel carbonyls MNi(CO)3 (-1/0), resulting in the formation of the Ni(CO)3 motif. Ni remains the 18-electron configuration for MgNi(CO)3 and CaNi(CO)3 neutrals, but not for AlNi(CO)3. This is different from the homobinuclear nickel carbonyl Ni-Ni(CO)3 with the involvement of three bridging ligands. Present findings would be helpful for understanding CO adsorption on alloy surfaces.

It is important to investigate the influence of surfactants on structures and physical/chemical properties of oil/water interfaces. This work reports a second harmonic generation study of the adsorption of malachite green (MG) on the surfaces of oil droplets in a hexadecane/water emulsion in the presence of surfactants including sodium dodecyl sulfate, polyoxyethylene-sorbitan monooleate (Tween80), and cetyltrimethyl ammonium bromide. It is revealed that surfactants with micromolar concentrations notably influence the adsorption of MG at the oil/water interface. Both competition adsorption and charge-charge interactions played very important roles in affecting the adsorption free energy and the surface density of MG at the oil/water interface. The sensitive detection of the changing oil/water interface with the adsorption of surfactants at such low concentrations provides more information for understanding the behavior of these surfactants at the oil/water interface.

Density functional theorymolecular dynamics simulations were employed to give insights into the mechanism of voltage generation based on a water-filled single-walled boron-nitrogen nanotube (SWBNNT). Our calculations showed that (1) the transport properties of confined water in a SWBNNT are different from those of bulk water in view of configuration, the diffusion coefficient, the dipole orientation, and the density distribution, and (2) a voltage difference of several millivolts would generate between the two ends of a SWBNNT due to interactions between the water dipole chains and charge carriers in the tube. Therefore, this structure of a water-filled SWBNNT can be a promising candidate for a synthetic nanoscale power cell as well as a practical nanopower harvesting device.