A review of gas-phase chemical mechanisms commonly used in atmospheric chemistry modelling

The atmospheric chemical mechanism is an essential component of airshed models used for investigating the chemical behaviors and impacts of species.Since the first tropospheric chemical mechanism was proposed in the 1960s,various mechanisms including Master Chemical Mechanism(MCM),Carbon Bond Mechanism(CBM),Statewide Air Pollution Research Center(SAPRC)and Regional Atmospheric Chemistry Mechanism(RACM)have been developed for different research purposes.This work summarizes the development and applications of these mechanisms,introduces their compositions and lumping methods,and compares the ways the mechanisms treat radicals with box model simulations.CBM can reproduce urban pollution events with relatively low cost compared to SAPRC and RACM,whereas the chemical behaviors of radicals and the photochemical production of ozone are described in detail in RACM.The photolysis rates of some oxygenated compounds are low in SAPRC07,which may result in underestimation of radical levels.As an explicit chemical mechanism,MCM describes the chemical processes of primary pollutants and their oxidation products in detail.MCM can be used to investigate certain chemical processes;however,due to its large size,it is rarely used in regional model simulations.A box model case study showed that the chemical behavior of OH and HO_(2)radicals and the production of ozone were well described by all mechanisms.CBM and SAPRC underestimated the radical levels for different chemical treatments,leading to low ozone production values in both cases.MCM and RACM are widely used in box model studies,while CBM and SAPRC are often selected in regional simulations.

Mechanism of titanium-nitride chemical mechanical polishing

During the preparation of the phase change memory,the deposition and chemical mechanical polishing(CMP)of titanium nitride(TiN)are indispensable.A new acidic slurry added with sodium hypochlorite(NaClO)as an oxidizer is developed for the CMP of TiN film.It has achieved a material removal rate of 76 nm/min,a high selectivity between TiN film and silica(SiO_(2))films of 128:1,a selectivity between TiN film and tungsten film of 84:1 and a high surface quality.To understand the mechanism of TiN CMP process,x-ray photoelectron(XPS)spectroscope and potentiodynamic polarization measurement are performed.It is found that the mechanism of TiN CMP process is cyclic reaction polishing mechanism.In addition,both static corrosion rate and the inductively coupled plasma results indicate TiN would not be dissolved,which means that the mechanical removal process of oxide layer plays a decisive role in the material removal rate.Finally,the mechanism of TiN polishing process is given based on the analysis of surface potential and the description of blocking function.

Mechanism of amorphous Ge_2Sb_2Te_5 removal during chemical mechanical planarization in acidic H_2O_2 slurry

In this paper, chemical mechanical planarization （CMP） of amorphous Ge2Sb2Te5 （a-GST） in acidic H2O2 slurry is investigated. It was found that the removal rate of a-GST is strongly dependent on H2O2 concentration and gradually increases with the increase in H2O2 concentration, but the static etch rate first increases and then slowly decreases with the increase in H2O2 concentration. To understand the chemical reaction behavior of H2O2 on the a-GST surface, the potentiodynamic polarization curve, surface morphology and cross-section of a-GST immersed in acidic slurry are measured and the results reveal that a-GST exhibits a from active to passive behavior for from low to high concentration of H2O2. Finally, a possible removal mechanism of a-GST in different concentrations of H2O2 in the acidic slurry is described.

Nonlinear Doping, Chemical Passivation and Photoluminescence Mechanism in Water-Soluble Silicon Quantum Dots by Mechanochemical Synthesis

A series of boron- and phosphorus-doped silicon wafers are used to prepare a series of doped silicon nanocrystals （nc-Si） by high-energy ball milling with carboxylic acid-terminated surface. The sizes of the nc-Si samples are demonstrated to be 〈 S nm. The doping levels of the nc-Si are found to be nonlinearly dependent on the original doping level of the wafers by x-ray photoelectron spectroscopy measurement. It is found that the nonlinear doping process will lead to the nonlinear chemical passivation and photoluminescence （I3L） intensity evolution. The doping, chemical passivation and PL mechanisms of the doped nc-Si samples prepared by mechanochemical synthesis are analyzed in detail.

Nanostructured Cadmium Sulfide:Sonochemical Synthesis,Optical Properties and Formation Process

Semiconductor CdS nanoparticles were synthesized by the sonochemical reduction of a mixed aqueous solution of CdCl2, Na2S2O3 and (CH3)CHOH in Ar atmosphere at room temperature. The results of a detailed investigation with X-ray diffraction, transmission electron microscopy, X-ray photoelectron spectrum and optical absorption spec-troscopy are reported. A clearly red shift of the absorption edge and a broad absorption band related to the surface states of nanoparticles have been observed in the optical absorption spectra with the increasing of CdS particle size. The mechanisms of the CdS nanoparticle formation and size growth during sonochemical irradiation were discussed. This convenient method is found to be an efficient way to produce other chalcogenides as well.

Chemical Mechanical Polishing of Glass Substrate with α-Alumina-g-Polystyrene Sulfonic Acid Composite Abrasive

Abrasive is the one of key influencing factors during chemical mechanical polishing（CMP） process. Currently, α-Alumina （α-Al2O3） particle, as a kind of abrasive, has been widely used in CMP slurries, but their high hardness and poor dispersion stability often lead to more surface defects. After being polished with composite particles, the surface defects of work pieces decrease obviously. So the composite particles as abrasives in slurry have been paid more attention. In order to reduce defect caused by pure α-Al2O3 abrasive, α-alumina-g-polystyrene sulfonic acid （α-Al2O3-g-PSS） composite abrasive was prepared by surface graft polymerization. The composition, structure and morphology of the product were characterized by Fourier transform infrared spectroscopy（FTIR）, X-ray photoelectron spectroscopy（XPS）, time-of-flight secondary ion mass spectroscopy（TOF-SIMS）, and scanning electron microscopy（SEM）, respectively. The results show that polystyrene sulfonic acid grafts onto α-Al2O3, and has well dispersibility. Then, the chemical mechanical polishing performances of the composite abrasive on glass substrate were investigated with a SPEEDFAM-16B-4M CMP machine. Atomic force microscopy（AFM） images indicate that the average roughness of the polished glass substrate surface can be decreased from 0.835 nm for pure α-Al2O3 abrasive to 0.583 nm for prepared α-Al2O3-g-PSS core-shell abrasive. The research provides a new and effect way to improve the surface qualities during CMP.

Research on Abrasives in the Chemical Mechanical Polishing Process for Silicon Nitride Balls

Silicon nitride (Si 3N 4) has been the main material for balls in ceramic ball bearings, for its lower density, high strength, high hardness, fine thermal stability and anticorrosive, and is widely used in various fields, such as high speed and high temperature areojet engines, precision machine tools and chemical engineer machines. Silicon nitride ceramics is a kind of brittle and hard material that is difficult to machining. In the traditional finishing process of silicon nitride balls, balls are lapped by expensive diamond abrasive. The machining is inefficiency and the cost is high, but also lots of pits, scratch subsurface micro crazes and dislocations will be caused on the surface of the balls, the performance of the ball bearings would be declined seriously. In these year, a kind of new technology known as chemical mechanical polishing is introduced in the ultraprecision machining process of ceramic balls. In this technology, abrasives such as ZrO 2, CeO 2 whose hardness is close to or lower than the work material (Si 3N 4) are used to polishing the balls. In special slurry, these abrasives can chemo-mechanically react with the work material and environment (air or water) to generate softer material (SiO 2). And the resultants will be removed easily at 0.1 nm level. So the surface defects can be minimized, very smooth surface (Ra=4 nm) and fine sphericity (0.15～0.25 μm ) can be obtained, and the machining efficiency is also improved. The action mechanism of the abrasives in the chemical mechanical polishing process in finishing of silicon nitride ball will be introduced in this paper.

Dissipative particle dynamics simulation of wettability alternation phenomena in the chemical flooding process

Wettability alternation phenomena is considered one of the most important enhanced oil recovery （EOR） mechanisms in the chemical flooding process and induced by the adsorption of surfactant on the rock surface. These phenomena are studied by a mesoscopic method named as dissipative particle dynamics （DPD）. Both the alteration phenomena of water-wet to oil-wet and that of oil-wet to water-wet are simulated based on reasonable definition of interaction parameters between beads. The wetting hysteresis phenomenon and the process of oil-drops detachment from rock surfaces with different wettability are simulated by adding long-range external forces on the fluid particles. The simulation results show that, the oil drop is liable to spread on the oil-wetting surface and move in the form of liquid film flow, whereas it is likely to move as a whole on the waterwetting surface. There are the same phenomena occuring in wettability-alternated cases. The results also show that DPD method provides a feasible approach to the problems of seepage flow with physicochemical phenomena and can be used to study the mechanism of EOR of chemical flooding.

A nano-scale mirror-like surface of Ti–6Al–4V attained by chemical mechanical polishing

Metal Ti and its alloys have been widely utilized in the fields of aviation, medical science, and micro-electromechanical systems, for its excellent specific strength, resistance to corrosion, and biological compatibility. As the application of Ti moves to the micro or nano scale, however, traditional methods of planarization have shown their short slabs.Thus, we introduce the method of chemical mechanical polishing（CMP） to provide a new way for the nano-scale planarization method of Ti alloys. We obtain a mirror-like surface, whose flatness is of nano-scale, via the CMP method. We test the basic mechanical behavior of Ti–6Al–4V（Ti64） in the CMP process, and optimize the composition of CMP slurry.Furthermore, the possible reactions that may take place in the CMP process have been studied by electrochemical methods combined with x-ray photoelectron spectroscopy（XPS）. An equivalent circuit has been built to interpret the dynamic of oxidation. Finally, a model has been established to explain the synergy of chemical and mechanical effects in the CMP of Ti–6Al–4V.

Effect of Abrasive Concentration on Chemical Mechanical Polishing of Sapphire

Effects of abrasive concentration on material removal rate CMRR） and surtace quality m the chemical mecnamcal polishing （CMP） of light-emitting diode sapphire substrates are investigated. Experimental results show that the MRR increases linearly with the abrasive concentration, while the rms roughness decreases with the increasing abrasive concentration. In addition, the in situ coefficient of friction （COF） is also conducted during the sapphire polishing process. The results present that COF increases sharply with the abrasive concentration up to 20 wt% and then shows a slight decrease from 20wt% to 40wt%. Temperature is a product of the friction force that is proportional to COF, which is an indicator for the mechanism of the sapphire CMP.

Theoretical and experimental investigation of chemical mechanical polishing of W–Ni–Fe alloy

Fine finishing of tungsten alloy is required to improve the surface quality of molds and precision instruments. Nevertheless, it is difficult to obtain high-quality surfaces as a result of grain boundary steps attributed to differences in properties of two-phase microstructures. This paper presents a theoretical and experimental investigation on chemical mechanical polishing of W–Ni–Fe alloy. The mechanism of the boundary step generation is illustrated and a model of grain boundary step formation is proposed. The mechanism reveals the effects of mechanical and chemical actions in both surface roughness and material removal. The model was verified by the experiments and the results show that appropriately balancing the mechanical and chemical effects restrains the generation of boundary steps and leads to a fine surface quality with a high removal rate by citric acid-based slurry.

Chemical expansion of solid oxide fuel cell materials: A brief overview

The importance of oxygen non-stoichiometry induced expansion, known as chemical expansion, for the mechanical properties of solid oxide fuel cells （SOFCs） is discussed. The methods used to measure chemical expansion and the defects responsible for its existence are introduced. Recent work demonstrating the origin of chemical expansion in fluorite structured oxides for SOFCs is presented. Models used to predict stress induced by chemical expansion in SOFCs, highlighting the necessity of considering electro-chemo-mechanical coupling relationships, are discussed.

Chemical, mechanical, and thermal expansion properties of a carbon nanotube-reinforced aluminum nanocomposite

In the present study,the chemical and mechanical properties and the thermal expansion of a carbon nanotube（CNT）-based crystalline nano-aluminum（nano Al） composite were reported.The properties of nanocomposites were tailored by incorporating CNTs into the nano Al matrix using a physical mixing method.The elastic moduli and the coefficient of thermal expansion（CTE） of the nanocomposites were also estimated to understand the effects of CNT reinforcement in the Al matrix.Microstructural characterization of the nanocomposite reveals that the CNTs are dispersed and embedded in the Al matrix.The experimental results indicate that the incorporation of CNTs into the nano Al matrix results in the increase in hardness and elastic modulus along with a concomitant decrease in the coefficient of thermal expansion The hardness and elastic modulus of the nanocomposite increase by 21%and 20%,respectively,upon CNT addition.The CTE of CNT/A1 nanocomposite decreases to 70%compared with that of nano Al.

Iron trichloride as oxidizer in acid slurry for chemical mechanical polishing of Ge_2Sb_2Te_5

The effect of iron trichloride （FeC13） on chemical mechanical polishing （CMP） of Ge2Sb2Te5 （GST） film is inves- tigated in this paper. The polishing rate of GST increases from 38 nm/min to 144 nm/min when the FeC13 concentration changes from 0.01 wt% to 0.15 wt%, which is much faster than 20 nm/min for the 1 wt% H2O2-based slurry. This polish- ing rate trends are inversely correlated with the contact angle data of FeCl3-based slurry on the GST film surface. Thus, it is hypothesized that the hydrophilicity of the GST film surface is associated with the polishing rate during CMP. Atomic force microscope （AFM） and optical microscope （OM） are used to characterize the surface quality after CMP. The chemical mechanism is studied by potentiodynamic measurements such as Ecorr and Icorr to analyze chemical reaction between FeCl3 and GST surface. Finally, it is verified that slurry with FeCl3 has no influence on the electrical property of the post-CMP GST film by the resistivity-temperature （RT） tests.

Atomic layer deposition of thin films:from a chemistry perspective

Atomic layer deposition(ALD)has become an indispensable thin-film technology in the contemporary microelectronics industry.The unique self-limited layer-by-layer growth feature of ALD has outstood this technology to deposit highly uniform conformal pinhole-free thin films with angstrom-level thickness control,particularly on 3D topologies.Over the years,the ALD technology has enabled not only the successful downscaling of the microelectronic devices but also numerous novel 3D device structures.As ALD is essentially a variant of chemical vapor deposition,a comprehensive understanding of the involved chemistry is of crucial importance to further develop and utilize this technology.To this end,we,in this review,focus on the surface chemistry and precursor chemistry aspects of ALD.We first review the surface chemistry of the gas–solid ALD reactions and elaborately discuss the associated mechanisms for the film growth;then,we review the ALD precursor chemistry by comparatively discussing the precursors that have been commonly used in the ALD processes;and finally,we selectively present a few newly-emerged applications of ALD in microelectronics,followed by our perspective on the future of the ALD technology.

Atomistic understanding of rough surface on the interfacial friction behavior during the chemical mechanical polishing process of diamond

The roughness of the contact surface exerts a vital role in rubbing.It is still a significant challenge to understand the microscopic contact of the rough surface at the atomic level.Herein,the rough surface with a special root mean square(RMS)value is constructed by multivariate Weierstrass–Mandelbrot(W–M)function and the rubbing process during that the chemical mechanical polishing(CMP)process of diamond is mimicked utilizing the reactive force field molecular dynamics(ReaxFF MD)simulation.It is found that the contact area A/A0 is positively related with the load,and the friction force F depends on the number of interfacial bridge bonds.Increasing the surface roughness will increase the friction force and friction coefficient.The model with low roughness and high lubrication has less friction force,and the presence of polishing liquid molecules can decrease the friction force and friction coefficient.The RMS value and the degree of damage show a functional relationship with the applied load and lubrication,i.e.,the RMS value decreases more under larger load and higher lubrication,and the diamond substrate occurs severer damage under larger load and lower lubrication.This work will generate fresh insight into the understanding of the microscopic contact of the rough surface at the atomic level.

Scratch formation and its mechanism in chemical mechanical planarization (CMP)

Chemical mechanical planarization(CMP)has become one of the most critical processes in semiconductor device fabrication to achieve global planarization.To achieve an efficient global planarization for device node dimensions of less than 32 nm,a comprehensive understanding of the physical,chemical,and tribo-mechanical/chemical action at the interface between the pad and wafer in the presence of a slurry medium is essential.During the CMP process,some issues such as film delamination,scratching,dishing,erosion,and corrosion can generate defects which can adversely affect the yield and reliability.In this article,an overview of material removal mechanism of CMP process,investigation of the scratch formation behavior based on polishing process conditions and consumables,scratch formation mechanism and the scratch inspection tools were extensively reviewed.The advantages of adopting the filtration unit and the jet spraying of water to reduce the scratch formation have been reviewed.The current research trends in the scratch formation,based on modeling perspective were also discussed.

Optimization of Polishing Parameters with Taguchi Method for LBO Crystal in CMP

Chemical mechanical polishing （CMP） was used to polish Lithium triborate （LiB3O5 or LBO） crystal. Taguchi method was applied for optimization of the polishing parameters. Material removal rate （MRR） and surface roughness are considered as criteria for the optimization. The polishing pressure, the abrasive concentration and the table velocity are important parameters which influence MRR and surface roughness in CMP of LBO crystal. Experiment results indicate that for MRR the polishing pressure is the most significant polishing parameter followed by table velocity; while for the surface roughness, the abrasive concentration is the most important one. For high MRR in CMP of LBO ctystal the optimal conditions are： pressure 620 g/cm^2, concentration 5.0 wt pct, and velocity 60 r/min, respectively. For the best surface roughness the optimal conditions are： pressure 416 g/cm^2, concentration 5.0 wt pct, and velocity 40 r/min, respectively. The contributions of individual parameters for MRR and surface roughness were obtained.

Intermolecular and surface forces in atomic-scale manufacturing

Atomic and close-to-atomic scale manufacturing(ACSM)aims to provide techniques for manufacturing in various fields,such as circuit manufacturing,high energy physics equipment,and medical devices and materials.The realization of atomic scale material manipulation depending on the theoretical system of classical mechanics faces great challenges.Understanding and using intermolecular and surface forces are the basis for better designing of ACSM.Transformation of atoms based on scanning tunneling microscopy or atomic force microscopy(AFM)is an essential process to regulate intermolecular interactions.Self-assemble process is a thermodynamic process involving complex intermolecular forces.The competition of these interaction determines structure assembly and packing geometry.For typical nanomachining processes including AFM nanomachining and chemical mechanical polishing,the coupling of chemistry and stress(tribochemistry)assists in the removal of surface atoms.Furthermore,based on the principle of triboelectrochemistry,we expect a further reduction of the potential barrier,and a potential application in high-efficiency atoms removal and fabricating functional coating.Future fundamental research is proposed for achieving high-efficiency and high-accuracy manufacturing with the aiding of external field.This review highlights the significant contribution of intermolecular and surface forces to ACSM,and may accelerate its progress in the in-depth investigation of fundamentals.