高性能碳基储能材料的设计、合成与应用

电化学储能器件的性能很大程度上决定于其电极材料。碳材料具有来源广泛、化学稳定性好、易于调控、环境友好等优点，被广泛应用于各类能量存储系统，但仍存在能量密度低、倍率性能差等问题。本文从碳材料孔结构调控、杂原子掺杂、与金属氧化物复合三个角度，综述了构建高性能碳基储能材料的设计合成策略，介绍了其在锂/钠离子二次电池、超级电容器等领域的研究进展，对几种方法策略的优缺点进行了总结，并对未来的研究方向进行了展望。本文对高性能碳基储能电极材料的设计开发具有积极意义。     

紫金山东南矿段成矿期次、阶段浅析

通过对紫金山东南矿段铜钼(金)矿床地质矿化特征分析,指出铜钼矿化带主要赋存于花岗闪长斑岩的内外接触带,处于似斑状花岗闪长斑岩的上部,金矿化带赋存在表生氧化带的英安玢岩、隐爆角砾岩中。经过对矿石的组构特征、矿物生成顺序等特征分析,将矿床的成矿演化过程分为斑岩热液期、高硫化浅成低温热液期、表生氧化期三个主要矿化期次,进一步将斑岩热液期分为黑云母-钾长石化阶段、石英-绢云母化阶段、碳酸盐化阶段三个阶段;高硫化浅成低温热液期分为地开石化阶段、明矾石化阶段、硅化阶段三个阶段。研究结果为进一步研究矿床成因提供了依据。     

转载溜槽衬板磨损预测的DEM仿真方法

针对EDEM自动划分网格较稀疏问题,采用Hypermesh划分仿真模型网格,利用Herz-Mindlin接触理论的Archard磨损模型对转载溜槽磨损问题进行仿真,在网格单元上提取出漏斗和溜管衬板的接触能量和磨损量,分析了磨损量与接触能量的关系。假设转载溜槽衬板磨损深度为物料与溜槽衬板的使用时间为线性函数,根据现场衬板磨损量的测量值,将衬板的磨损系数关系的看作隐式的单变量方程,应用EDEM软件的仿真结果求解出磨损系数的标定值。分析了漏斗和溜管的磨损机理。该方法可用于转载溜槽的磨损预测。     

溶液浓差能驱动的逆电渗析反应器制氢实验研究

低品位热能制氢技术首先是将热能转换为溶液浓差能，然后通过逆电渗析（RED）反应器将溶液浓差能转换成氢能。为了验证RED反应器能将溶液浓差能转换为氢能，探索关键运行参数变化对能量转换过程的影响。设计了一个由40个膜对所构成的RED反应器，以NaCl水溶液为工作溶液，NaOH水溶液为电极液的制氢系统。通过改变浓/稀溶液入口浓度，溶液过膜流速以及输出电流来考察对RED反应器产氢率、制氢效率和能量转换效率的影响。实验结果发现，浓/稀溶液入口浓度，过膜流速变化均会影响RED反应器的输出电流。在外电路短接条件下，输出电流越大，反应器产氢率和制氢效率越高，但能量转换效率越低。     

{X,Y}-Cyclacene Graphs with Next Nearest Neighbor Interactions

Eigensolutions of {X( = C,B,N),Y( = C,B,N)}-cyclacene graphs with next nearest neighbor (nnn) interactions have been obtained in analytical forms by adapting n-fold rotational symmetry followed by two-fold rotational symmetry (or a plane of symmetry). Expressions of eigensolution indicate the subspectral relationship among such cyclacenes with an even number of hexagonal rings e.g., eigenvalues of {X,Y}-di-cyclacene are found in the eigenspectra of all such even cyclacenes. Total π-electron energies and highest occupied molecular orbital and lowest unoccupied molecular orbital (HOMO–LUMO) gaps are calculated using the analytical expressions obtained and are found to vary negligibly with the variation of nnn interactions in such cyclacenes. Total π-electron energy is found to increase due to increase in restriction intensity of nnn interactions, whereas the HOMO–LUMO gap of polyacenecs having the even number of hexagonal rings and with one electron at each site (atom) decreases with increase in the restriction intensity since such systems contain degenerate half-filled HOMO (bonding or nonbonding) that are much more vulnerable for perturbations imposed through nnn interactions.     

Etching characteristics of thin SiON films using a liquefied perfluorocarbon precursor of C6F12O with a low global warming potential

Perfluorocarbon gas is widely used in the semiconductor industry. However, perfluorocarbon has a negative effect on the global environment owing to its high global warming potential (GWP) value. An alternative solution is essential. Therefore, we evaluated the possibility of replacing conventional perfluorocarbon etching gases such as CHF₃ with C₆F₁₂O, which has a low GWP and is in a liquid state at room temperature. In this study, silicon oxynitride (SiON) films were plasma-etched using inductively coupled CF₄ +C₆F₁₂O+O₂ mixed plasmas. Subsequently, the etching characteristics of the film, such as etching rate, etching profile, selectivity over Si, and photoresist, were investigated. A double Langmuir probe was used and optical emission spectroscopy was performed for plasma diagnostics. In addition, a contact angle goniometer and x-ray photoelectron spectroscope were used to confirm the change in the surface properties of the etched SiON film surface. Consequently, the etching characteristics of the C₆F₁₂O mixed plasma exhibited a lower etching rate, higher SiON/Si selectivity, lower plasma damage, and more vertical etched profiles than the conventional CHF₃ mixed plasma. In addition, the C₆F₁₂O gas can be recovered in the liquid state, thereby decreasing global warming. These results confirmed that the C₆F₁₂O precursor can sufficiently replace the conventional etching gas.     

应变纤锌矿ZnO/MgxZn1-xO量子点中离子施主束缚激子的光学性质

Within the framework of the effective-mass approximation and the dipole approximation, considering the three-dimensional confinement of the electron and hole and the strong built-in electric field(BEF) in strained wurtzite Zn O/Mg0:25Zn0:75O quantum dots(QDs), the optical properties of ionized donor-bound excitons(D+, X)are investigated theoretically using a variational method. The computations are performed in the case of finite band offset. Numerical results indicate that the optical properties of(D+, X) complexes sensitively depend on the donor position, the QD size and the BEF. The binding energy of(D+, X) complexes is larger when the donor is located in the vicinity of the left interface of the QDs, and it decreases with increasing QD size. The oscillator strength reduces with an increase in the dot height and increases with an increase in the dot radius. Furthermore, when the QD size decreases, the absorption peak intensity shows a marked increment, and the absorption coefficient peak has a blueshift. The strong BEF causes a redshift of the absorption coefficient peak and causes the absorption peak intensity to decrease remarkably. The physical reasons for these relationships have been analyzed in depth.     

Coil‐Type Asymmetric Supercapacitor Electrical Cables

Cable‐shaped supercapacitors (SCs) have recently aroused significant attention due to their attractive properties such as small size, lightweight, and bendability. Current cable‐shaped SCs have symmetric device configuration. However, if an asymmetric design is used in cable‐shaped supercapacitors, they would become more attractive due to broader cell operation voltages, which results in higher energy densities. Here, a novel coil‐type asymmetric supercapacitor electrical cable (CASEC) is reported with enhanced cell operation voltage and extraordinary mechanical‐electrochemical stability. The CASECs show excellent charge–discharge profiles, extraordinary rate capability (95.4%), high energy density (0.85 mWh cm⁻³), remarkable flexibility and bendability, and superior bending cycle stability (≈93.0% after 4000 cycles at different bending states). In addition, the CASECs not only exhibit the capability to store energy but also to transmit electricity simultaneously and independently. The integrated electrical conduction and storage capability of CASECS offer many potential applications in solar energy storage and electronic gadgets.     

Sustainable ammonia production through process synthesis and global optimization

Current ammonia production technologies have a significant carbon footprint. In this study, we present a process synthesis and global optimization framework to discover the efficient utilization of renewable resources in ammonia production. Competing technologies are incorporated in a process superstructure where biomass, wind, and solar routes are compared with the natural gas-based reference case. A deterministic global optimization-based branch-and-bound algorithm is used to solve the resulting large-scale nonconvex mixed-integer nonlinear programming problem (MINLP). Case studies for Texas, California, and Iowa are conducted to examine the effects of different feedstock prices and availabilities. Results indicate that profitability of ammonia production is highly sensitive to feedstock and electricity prices, as well as greenhouse gas (GHG) restrictions. Under strict 75% GHG reductions, biomass to ammonia route is found to be competitive with natural gas route, whereas wind and solar to ammonia routes require further improvement to compete with those two routes. © 2018 American Institute of Chemical Engineers AIChE J, 65: e16498 2019     

压水堆核电厂一回路首次钝化工艺研究

压水堆核电厂热态功能试验中的一回路首次钝化对核电厂一回路材料腐蚀控制和减少腐蚀产物等方面具有重要作用。本文结合理论研究与工程实际情况，提出了在热态功能试验过程中钝化膜的生成包含电化学反应和化学反应的观点，阐述了双层膜的生长机理，解释了用电化学测试方法分析钝化工艺过程的合理性，推导出钝化温度与钝化膜反应速率的函数关系式，钝化温度升高，反应速率升高，钝化时间缩短；明确了钝化工艺温度的理论限值应不低于260℃。