Hydrodeoxygenation of Phenolic Model Compounds over MoS2 Catalysts with Different Structures

Several MoS2 catalysts of different structure, prepared by in situ decomposition of ammonium heptamolybdate （AHM） and molybdenum naphthenate （MoNaph）, and by MoS2 exfoliation （TDM）, were characterized by BET, X-ray diffraction （XRD）, Energy Dispersive X-ray （EDX） and transmission electron microscopy （TEM）. The analysis showed that MoS2 structure was dependant upon the preparation procedure. The activity of the catalysts was determined by measuring the hydrodeoxygenation （HDO） of phenol, 4-methylphenol and 4-methoxyphenol using a batch autoclave reactor operated at 2.8 MPa of hydrogen and temperatures ranging from 320-370℃. By comparing the conversion, the reactivity order of the catalysts was： AHM〉TDM-D〉MoNaph〉thermal〉MoS2 powder〉 TDM-W. Also, the effect of reaction temperature on the HDO conversion was explained in terms of equilibrium of reversible reaction kinetics. The main products of the HDO for phenolic compounds were identified by gas chromatography/mass spectrometry （GC/MS）. The results showed that the product distribution and the HDO selectivity were correlated with the reaction temperature. Two parallel reaction routes, direct hydrogenolysis and combined hydrogenation-hydrogenolysis, were confirmed by the analysis of the product distribution. High temperature favored hydrogenolysis over hydrogenation for HDO of phenol and 4-methoxyphenol, whereas for 4-methylphenol the reverse was true.

A high rectification efficiency Si_(0.14)Ge_(0.72)Sn_(0.14)-Ge_(0.82)Sn_(0.18)-Ge quantum structure n-MOSFET for 2.45 GHz weak energy microwave wireless energy transmission

The design strategy and efficiency optimization of a Ge-based n-type metal-oxide-semiconductor field-effect transistor(n-MOSFET)with a Si_(0.14)Ge_(0.72)Sn_(0.14)-Ge_(0.82)Sn_(0.18)-Ge quantum structure used for 2.45 GHz weak energy microwave wireless energy transmission is reported.The quantum structure combined withδ-doping technology is used to reduce the scattering of the device and improve its electron mobility;at the same time,the generation of surface channels is suppressed by the Si_(0.14)Ge_(0.72)Sn_(0.14) cap layer.By adjusting the threshold voltage of the device to 91 mV,setting the device aspect ratio to 1μm/0.4μm and adopting a novel diode connection method,the rectification efficiency of the device is improved.With simulation by Silvaco TCAD software,good performance is displayed in the transfer and output characteristics.For a simple half-wave rectifier circuit with a load of 1 pf and 20 kΩ,the rectification efficiency of the device can reach 7.14%at an input power of-10 dBm,which is 4.2 times that of a Si MOSFET(with a threshold voltage of 80 mV)under the same conditions;this device shows a better rectification effect than a Si MOSFET in the range of-30 dBm to 6.9 dBm.

LOCALIZED STUDIES ON ELECTRONIC STRUCTURE AND CHEMICAL BOND FOR [NCCuS_2MoS_2]^(2-) CLUSTER

The canonical and locatized molecutar orbiters of [NCCuS_2NoS_2]^(2-) cluster were calculated by means of CNDO quantum chemistry method. Then the energy and properties of corresponding chemicat bonds were discussed, especially, Cu-Sb-No three center conjugated π bonds and No-St-No conjugated π bonds were accounted for.

Optimal Hybrid Precoding Based QoE for Partially Structured Massive MIMO System

Precoding is a beamforming technique that supports multi-streamtransmission in which the RF chain plays a significant role as a digital precoding at the receiver for wireless communication. The traditional precodingcontains only digital signal processing and each antenna connects to each RFchain, which provides high transmission efficiency but high cost and hardwarecomplexity. Hybrid precoding is one of the most popular massive multipleinput multiple output (MIMO) techniques that can save costs and avoid usingcomplex hardware. At present, network services are currently in focus with awide range of traffic volumes. In terms of the Quality of Service (QoS), it iscritical that service providers pay a lot of attention to this parameter and itsrelationship to Quality of Experience (QoE) which is the measurement of theoverall level of user satisfaction. Therefore, this paper proposes hybrid precoding of a partially structured system to improve transmission efficiency andallocate resources to provide network services to users for increasing the usersatisfaction under power constraints that optimize the quality of basebandprecoding and radio frequency (RF) precoding by minimizing alternatingalgorithms. We focus on the web browsing, video, and Voice over IP (VOIP)services. Also, a Mean Opinion Score (MOS) is employed to measure thelevel of user satisfaction. The results show that the partially structured systemprovides a good user satisfaction with the network’s services. The partiallystructured system provides high energy efficiency up to 85%. Considering webservice, the partially structured system for 10 users provides MOS at 3.21 whichis higher than 1.75 of fully structured system.

Experimental analysis of matrix moveable oil saturation in tight sandstone reservoirs of the south Ordos Basin,China

Tight oil reservoirs in the south Ordos Basin are characterized by fractured,heterogeneous oil-bearing strata(an oil saturation of less than 55%on average),normal pressure(0.8±)and extra-low permeability(less than 0.3 mD).In the Chang 8 tight sandstone reservoir in Honghe oilfield,micro-and nanopores,especially those with a pore-throat radius of less than 1 mm,account for more than 90%.Fluid flow in the matrix is non-linear and crude oil flow rates are very low under normal pressure gradients.An improved understanding of oil mobility in a tight matrix is key to further development of normalpressure tight-oil resources in the continental basin.In this study,constant-velocity and high-pressure mercury injection experiments were conducted using samples of typical tight sandstone cores obtained from the south of Ordos Basin.A new method for reconstructing the full-scale pore-throat distribution characteristics of tight sandstone reservoirs was established successfully,based on which multistage centrifugal tests,tests of low-pressure differential displacement of oil by water,and nuclear magnetic resonance tests were conducted in order to obtain the distribution characteristics of moveable fluid in different pores.The moveable oil saturation(MOS)and degree of oil recovery(i.e.ratio of accumulative oil production to producing geologic reserves)of the core samples under different differential pressures for displacement were determined.As for the tight oil reservoirs in the south Ordos Basin,the moveable fluids are mainly stored in sub-micron(0.10-0.5 mm)pores.For Type I reservoirs(k>0.1 mD),the volume percentage of moveable fluid in pores with a radius larger than 0.5 mm is relatively high(greater than 40%).The degree of oil recovery of water flooding serves as the basis for forecasting recoverable reserves for tight oil reservoirs.Recoverable reserves under water flooding,mainly occur in pores with a radius greater than 0.5 mm.The contribution of Type I reserves to oil production is observed to be greater than 60%,and the degree of oil recovery reaches up to 17.1%.These results help improve our understanding on the evaluation and classification of Chang 8 tight sandstone reservoirs in Honghe oilfield and serve as theoretical basis for pilot tests to explore effective injection media and development methods to improve the matrix-driven pressure differences and displacement efficiency for oil.

Characterization of Oxide Charge During Hot-Carrier Degradation of Ultrathin Gate pMOSFETs--Investigated by Charge Pumping Technique

The generation of oxide charge for 4nm pMOSFETs under hot-carrier stress is investigated by the charge pumping measurements.Firstly,the direct experimental evidences of logarithmic time dependence of hole trapping is observed for pMOSFETs with different channel lengths under hot-carrier stress.Thus,the relationships of oxide charge generation,including electron trapping and hole trapping effects,with different stress voltages and channel lengths are analyzed.It is also found that there is a two-step process in the generation of oxide charge for pMOSFETs.For a short stress time,electron trapping is predominant,whereas for a long stress time,hole trapping dominates the generation of oxide charge.

One-pot hydrothermal synthesis of willow branch-shaped MoS_2/CdS heterojunctions for photocatalytic H_2 production under visible light irradiation

Willow branch-shaped MoS2/CdS heterojunctions are successfully synthesized for the first time by a facile one-pot hydrothermal method. The as-prepared samples were characterized by X-ray diffraction, X-ray photoelectron spectroscopy, scanning electron microscopy, transmission electron microscopy, nitrogen adsorption-desorption measurements, diffuse reflectance spectroscopy, and photoelectrochemical and photoluminescence spectroscopy tests. The photocatalytic hydrogen evolution activities of the samples were evaluated under visible light irradiation. The resulting MoS2/CdS heterojunctions exhibit a much improved photocatalytic hydrogen evolution activity than that obtained with CdS and MoS2. In particular, the optimized MC-5 (5 at.% MoS2/CdS) photocatalyst achieved the highest hydrogen production rate of 250.8 μmol h–1, which is 28 times higher than that of pristine CdS. The apparent quantum efficiency (AQE) at 420 nm was 3.66%. Further detailed characterizations revealed that the enhanced photocatalytic activity of the MoS2/CdS heterojunctions could be attributed to the efficient transfer and separation of photogenerated charge carriers resulting from the core-shell structure and the close contact between MoS2 nanosheets and CdS single-crystal nanorods, as well as to increased visible light absorption. A tentative mechanism for photocatalytic H2 evolution by MoS2/CdS heterojunctions was proposed. This work will open up new opportunities for developing more efficient photocatalysts for water splitting.

Pd-gate MOS sensor for detection of methanol and propanol

The present paper focused on the detection of methanol and propanol using Pd-gate metal-oxide-semiconductor （MOS） sensor. Surface mor- phology and composition of the gate film were studied by scanning electron microscopy （SEM） and atomic force microscopy （AFM）. The response of the sensor for propanol and methanol was measured as shift in capacitance-voltage （C-V） and conductance-voltage （G-V） curves of the MOS structure. The sensitivity of the sensor towards methanol was found to be greater than that towards propanol. It was 58.2% for methanol and 32% for propanol （at 0.6 V, 1 MHz） in terms of capacitance measurements, while in terms of conductance results the sensitivity was found to be 57.2% for methanol and 38.9% for propanol at 1 kHz. The discontinuities or cracks present in the microstructure of the gate material are believed to be mainly responsible for the high sensitivity of the sensor, going with the decomposition of gas molecules and subsequent hydrogen permeation through Pd.

Effect of defects on the electronic structure of a PbI2/MoS2 van der Waals heterostructure: A first-principles study

PbI2/MoS2,as a typical van der Waals(vdW)heterostructure,has attracted intensive attention owing to its remarkable electronic and optoelectronic properties.In this work,the effect of defects on the electronic structures of a PbI2/MoS2 heterointerface has been systematically investigated.The manner in which the defects modulate the band structure of PbI2/MoS2,including the band gap,band edge,band alignment,and defect energy-level density within the band gap is discussed herein.It is shown that sulfur defects tune the band gaps,iodine defects shift the positions of the band edge and Fermi level,and lead defects realize the conversions between the straddling-gap band alignment and valence-band-aligned gap,thus enhancing the light-absorption ability of the material.

Insights into the photocatalytic mechanism of the C4N/MoS2 heterostructure: A first-principle study

Constructing heterostructures by combining COFs and TMD is a new strategy to design efficient photocatalysts for CO2 reduction reaction(CO2RR) due to their good stability,tunable band gaps and efficient charge separation.Based on the synthesis of completely novel C4N-COF in our previous re ported work,a new C4N/MoS2 heterostructure was constructed and then the related structural,electronic and optical properties were also studied using first principle calculations.The interlayer coupling effect and charge transfer between the C4N and MoS2 layer are systematically illuminated.The reduced band gap of the C4N/MoS2 heterostructure is beneficial to absorb more visible light.For the formation of type-Ⅱ band alignment,a built-in electric field appears which separates the photogene rated electrons and holes into different layers efficiently and produces redox active sites.The band alignment of the heterostructure ensures its photocatalytic activities of the whole CO2 reduction reaction.Furthermore,the charge density difference and charge carrier mobility confirm the existence of the built-in electric field at the interface of the C4N/MoS2 heterostructure directly.Finally,the high optical absorption indicates it is an efficient visible light harvesting photocatalyst.Therefore,this wo rk could provide strong insights into the internal mechanism and high photocatalytic activity of the C4N/MoS2 heterostructure and offer guiding of designing and synthesizing COF/TMD heterostructure photocatalysts.

MOS structure fabrication by thermal oxidation of multilayer metal thin films

A novel approach for the fabrication of a metal oxide semiconductor（MOS） structure was reported.The process comprises electrochemical deposition of aluminum and zinc layers on a base of nickel-chromium alloy. This two-layer structure was thermally oxidized at 400℃for 40 min to produce thin layers of aluminum oxide as an insulator and zinc oxide as a semiconductor on a metallic substrate.Using deposition parameters,device dimensions and SEM micrographs of the layers,the device parameters were calculated.The resultant MOS structure was characterized by a C-V curve method.From this curve,the device maximum capacitance and threshold voltage were estimated to be about 0.74 nF and -2.9 V,respectively,which are in the order of model-based calculations.

A DOMINANT DEFECT AT THE Si/SiO_2 INTERFACE IN MOS STRUCTURE

The interface defects at the Si/SiO_2 interface in ρ-type silicon (111) MOS structures have been studied by the DLTS method. A dominant defect H_(it),(0.503) at the Si/SiO_2 interface has been found. Its characteristics are (i) the average hole ionization Gibbs free energy △G_p≥0.503 eV; (ii) by changing the gate bias when the distance from Fermi level to the top of Si valence band at the Si/SiO_2 interface is less than △G_p there is still the strong DLTS peak; (iii) its hole apparent activation energy increases with the dectease of the height of semiconductor surface potential barrier; and (iv) its hole capture process causes the multiexponential capacitance transience as a function of pulse width and the H_(it)(0.503) level are very difficult to be fully filled with the holes introduced by thepulst with alimited width. All above show that there is a continuous transition energy band between the energy bands of the covalent crystal silicon and the SiO_2 in the Si/SiO_2 systems formed by thermal oxidation; the dominant defect H_(it)(0.503) is distributed in the transition region, and the distance of H_(it)(0.503) level from the top of the valence band increases with the distance from the silicon surface.

New strategy of modeling inversion layer characteristics in MOS structure for ULSI applications

With the development of ULSI silicon technology, metal oxide semiconductor field effect transistor (MOSFET) devices are scaling down to nanometer regime. Energy of carriers in inversion layer in MOS structure is quantized and consequently, the physics and then the transport characteris-tics of inversion layer carriers are different from those in semi-classical theory. One essential matter is that the widely used concept of conduction band (valence band as well) effective density-of-states is no longer valid in quantized inversion layer. In this paper, an alternative concept, called surface layer effective density-of-states, is used to model the characteristics of MOS structure including threshold voltage, carrier sheet density, surface potential as well as capacitance.

Energy Dependence of Interface Trap Density——Investigated by Relaxation Spectral Technique

According to the definition of interface traps,a new application of relaxation spectral technique to sub-threshold swing shift and sub-threshold gate voltage shift is proposed to extract interface trap density in 1.9nm MOSFET.And thus the energy distribution of interface trap can be determined.According to the two methods,the energy profile of interface traps agrees with those reported in literature.Compared to other methods,this method is simpler and more convenient.

Multi-Defect Generation Behavior in Ultra Thin Oxide Under DT Stresses

The saturation behavior of stress current is studied.The three types of precursor sites for trap generation are also introduced by fitting method based on first order rate equation.A further investigation by statistics experiments shows that there are definite relationships among time constant of trap generation,the time to breakdown,and stress voltage.It also means that the time constant of trap generation can be used to predict oxide lifetime.This method is faster for TDDB study compared with usual breakdown experiments.

A Model Output Machine Learning Method for Grid Temperature Forecasts in the Beijing Area

In this paper, the model output machine learning (MOML) method is proposed for simulating weather consultation, which can improve the forecast results of numerical weather prediction (NWP). During weather consultation, the forecasters obtain the final results by combining the observations with the NWP results and giving opinions based on their experience. It is obvious that using a suitable post-processing algorithm for simulating weather consultation is an interesting and important topic. MOML is a post-processing method based on machine learning, which matches NWP forecasts against observations through a regression function. By adopting different feature engineering of datasets and training periods, the observational and model data can be processed into the corresponding training set and test set. The MOML regression function uses an existing machine learning algorithm with the processed dataset to revise the output of NWP models combined with the observations, so as to improve the results of weather forecasts. To test the new approach for grid temperature forecasts, the 2-m surface air temperature in the Beijing area from the ECMWF model is used. MOML with different feature engineering is compared against the ECMWF model and modified model output statistics (MOS) method. MOML shows a better numerical performance than the ECMWF model and MOS, especially for winter. The results of MOML with a linear algorithm, running training period, and dataset using spatial interpolation ideas, are better than others when the forecast time is within a few days. The results of MOML with the Random Forest algorithm, year-round training period, and dataset containing surrounding gridpoint information, are better when the forecast time is longer.

Hydrogenation Conversion of Phenanthrene over Dispersed Mo-based Catalysts

With oil-soluble molybdenum compound and sublimed sulfur serving as raw materials, two dispersed Mo-based catalysts were prepared, characterized and then applied to the hydrogenation conversion of phenanthrene. The test results showed that under the conditions specified by this study, the catalyst prepared in a higher sulfiding atmosphere was more catalytically active due to its higher content of MoS2 and stronger intrinsic catalytic activity of MoS2 unit, which demonstrated that the sulfiding atmosphere for the preparation of catalysts not only could influence the yield of MoS2 but also the structure of MoS2.The analysis on the selectivity of octahydrophenanthrene isomers revealed that the catalyst prepared in a lower sulfiding atmosphere had a relatively higher catalytic selectivity to the hydrogenation of outer aromatic ring and the structure of catalysts could be modified under the specific reaction conditions. Moreover, the selectivity between the isomers of as-octahydrophenanthrene at different reaction time and temperature was analyzed and, based on the results, a hydrogenation mechanism over dispersed Mo-based catalysts was suggested, with monatomic hydrogen transfer and catalytic surface desorption of the half-addition intermediates functioning as the key points. In addition, it is concluded that the catalyst prepared in a lower sulfiding atmosphere was more capable of adsorption than the other one.

0D/3D direct Z-scheme heterojunctions hybridizing by MoS2 quantum dots and honeycomb conjugated triazine polymers (CTPs) for enhanced photocatalytic performance

Herein,a novel direct Z-scheme photocatalyst was accomplished by hybridization of 0D MoS2 quantum dots(MSQDs)and 3D honeycomb-like conjugated triazine polymers(CTP)(namely,CTP-MSQD).The unique 0D/3D hierarchical structure significantly enhanced the exposure of active sites and light harvesting property,while the formed p-n junction enabled the direct strong interface coupling without the necessity of any mediators.The optimized CTP-MSQD3 exhibited continuously increased visible-light-driven photocatalytic activity and strong durability both in Cr(VI)reduction and H2 evolution,featured a rate of 0.069 min^(-1) and 1070μmol/(hr•g),respectively,which were 8 times than those of pure 3D-CTP(0.009 min^(−1) and 129μmol/(hr•g)).We believe that this work provides a promising photocatalyst system that combines a 0D/3D hierarchical structure and a Z-scheme charge flow for efficient and stable photocatalytic conversion.

High performance hybrid supercapacitor based on hierarchical MoS2/Ni3S2 metal chalcogenide

Recently,because of excellent electrical conductivities and many active sites,transition metal sulfides have been utilized as efficient electrodes for supercapacitors.Herein,we synthesize hierarchical MoS2/Ni3S2 structures grown on nickel foam by a facile one-pot hydrothermal process.The as-fabricated asymmetric hybrid capacitor based on hierarchical MoS2/Ni3S2 electrode exhibit a specific capacitance of^1.033 C/cm2 at1 mA/cm2.Furthermore,the hybrid capacitor unveils an energy density of 35.93 m W h/cm3 at a power density of 1064.76 mW/cm3.The observed results clearly revealed that the synthesized MoS2/Ni3S2 structure might be used as potential electrode material for future energy storage devices.