Results 31 to 40 of about 564,955 (175)
ABSTRACT Aqueous zinc‐ion batteries (AZIBs) have attracted increasing attention in energy storage owing to their high energy density, low redox potential, and cost‐effectiveness. Nevertheless, uncontrolled dendrite accumulation, gas generation, and severe side‐reaction problems hinder the cycling lifespan, which prevents their commercial applications ...
Xiangzhong Kong +8 more
wiley +1 more source
采用密度泛函(DFT)中的B3P86方法,结合Dunning的相关一致基组cc-PVTZ,优化计算硼氢化物(BHn)(n=1~5)可能的几何构型,得出最稳定构型的几何参数、电子结构和红外光谱等性质参数,给出了最稳定结构的总能量(ET)、结合能(EBT)、平均结合能(Eav)、电离势(EIP)、能隙(Eg)、费米能级(EF)和氢原子差分吸附能(Ediff)等.结果表明硼氢化物基态稳定结构的电子态分别为:n为奇数为单重态1∑_和1A,n为偶数为双重态2A;由于B原子属于缺电子原子,能与等电子原子H化合 ...
喻凌, 伍冬兰, 曾学锋
doaj
ABSTRACT LiBH4 has drawn significant attention due to its high theoretical hydrogen storage capacity of 18.5 wt%, yet its practical application is hindered by the harsh dehydrogenation conditions. This paper proposes a strategy integrating ensemble learning with density functional theory (EL–DFT) for rapidly screening modified LiBH4 systems that ...
Zishan Luo +11 more
wiley +1 more source
氢冶金是钢铁行业降低碳排放的变革性技术,对工业部门深度脱碳具有重要意义。广东省的钢铁产能占全国的4%,是中国钢铁产能布局较多的地区,钢铁行业能耗在全省终端能耗中的占比为4.6%,碳排放在全省碳排放总量中的占比达到17%,因此钢铁行业深度脱碳将直接影响广东省碳达峰碳中和目标的实现。另一方面,广东省是全国最早推动氢能产业化发展的省份,多种制氢路线的研发和示范已有许多实际案例。分析广东省2020—2035年的粗钢产量变化,对广东省未来可实现的制氢技术路线和产氢能力进行研判,在此基础上 ...
郑励行, 汪鹏, 赵黛青, 董耿林
core +1 more source
ABSTRACT Catalytic NH3 decomposition has garnered substantial attention for hydrogen transformation and storage. Ni‐based catalysts continue to suffer from limited thermal stability and suboptimal low‐temperature activity, largely attributed to an incomplete understanding of the structure‐activity relationships and reaction mechanisms governing their ...
Tao Wen +8 more
wiley +1 more source
ABSTRACT The intricate corrosion environment necessitates the polymeric coating's adaptability to the surroundings. In this work, the integration of rare‐earth Ce(III) ions and ethylene diamine tetramethylene phosphonic acid (EDTMP) in a layered double hydroxide (LDH) material is developed to enhance the corrosion protection and anti‐wear properties of
Yangu Liu +9 more
wiley +1 more source
研究了氢氧化铝和氢氧化镁两种金属水合物对硅橡胶耐漏电起痕性能的影响,分析了其影响机理。综合氢氧化铝对硅橡胶电气性能和物理机械性能影响的试验结果,得出了氢氧化铝的最佳含量和粒径;氢氧化镁也有助于硅橡胶材料耐漏电起痕性能的改善。
张照前 +3 more
doaj
ABSTRACT Platinum (Pt) single‐atom catalyst (SAC) shows great promise for hydrogen evolution reaction (HER), but faces a huge challenge in activity enhancement due to the isolated single‐atom sites. Fabricating support with partially amorphous (pa) structures to realize the synergetic interaction in neighboring single atoms could facilitate H2O ...
Yanhui Song +9 more
wiley +1 more source
ABSTRACT The electrocatalytic water splitting technique was widely taken for hydrogen evolution, due to its cost‐effectiveness and environmental friendliness. The design of electrode material as electrocatalysts play a key role in achieving high efficiency.
Yaling Zhu +5 more
wiley +1 more source
ABSTRACT f–f electronic transitions of rare‐earth elements typically exhibit unique physicochemical properties that benefit the photocatalytic performance of the catalysts containing the elements. Although conventional rare‐earth metal oxides or single‐atom doping in semiconductors have been extensively studied, the construction of heterojunction ...
Yang‐Sen Xu +6 more
wiley +1 more source

