【摘 要】
：
Electrochemical nitrogen reduction reaction(NRR)is one of the most promising alternatives to the tradi-tional Haber-Bosch process.Designing efficient electrocat
【机 构】
：
Ningbo Institute of Materials Technology and Engineering,Chinese Academy of Sciences,Ningbo 315201,Z
论文部分内容阅读
Electrochemical nitrogen reduction reaction(NRR)is one of the most promising alternatives to the tradi-tional Haber-Bosch process.Designing efficient electrocatalysts is still challenging.Inspired by the recent experimental and theoretical advances on single-cluster catalysts(SCCs),we systematically investigated the catalytic performance of various triple-transition-metal-atom clusters anchored on nitrogen-doped graphene for NRR through density functional theory(DFT)calculation.Among them,Mn3-N4,Fe3-N4,Co3-N4,and Mo3-N4 were screened out as electrocatalysis systems composed of non-noble metal with high activity,selectivity,stability,and feasibility.Particularly,the Co3-N4 possesses the highest activity with a limiting potential of-0.41 V through the enzymatic mechanism.The outstanding performance of Co3-N4 can be attributed to the unique electronic structure leading to strong π backdonation,which is crucial in effective N2 activation.This work not only predicts four efficient non-noble metal electrocat-alysts for NRR,but also suggest the SCCs can serve as potential candidates for other important electro-chemical reactions.
其他文献
Two-dimensional(2D)layered materials are widely applied in energy devices including lithium-ion bat-tery and supercapacitor due to their unique properties,such
Light olefins (C2-C4 olefins) are the most important basic carbon-based building blocks, which are mainly produced from the catalytic cracking of naphtha [1-3].
Zinc-ion batteries (ZIBs) are promising alternative energy storage devices to lithium-ion batteries owing to the merits of large abundance,high theoretical capa
Molybdenum phosphide(MoP),owing to its abundant reserve and high theoretical capacity,is regarded as a promising anode material for potassium-ion batteries.Howe
Aqueous rechargeable zinc-ion batteries(ZIBs)have recently attracted increasing research interest due to their unparalleled safety,fantastic cost competitivenes
A great deal of attention has been paid on developing plant-derived hard carbon(HC)materials as anodes for sodium-ion batteries(SIBs).So far,the regulation of H
Exploring electrode materials with a high volumetric energy density and high rate capability remains of a great challenge for nanosized-Li4Ti5O12(LTO)batteries.
Iron-based electrodes have attracted great attention for sodium storage because of the distinct cost effec-tiveness.However,exploring suitable iron-based electr
为解决焦炉煤气制LNG、甲醇等项目中预加氢、一级加氢、二级加氢样品中硫化物检测组分浓度差异大使得部分硫化物需要稀释进样的问题,采用价格低、普及性高的火焰光度检测器及填充柱气相色谱仪,通过减小定量环、改造信号放大组件、分段拟合等手段将直接进样检测焦炉煤气中形态硫的质量浓度检测范围拓宽至2.86~142.86 mg/m3。结果表明,在上述范围内一定浓度梯度进行复测,所得数据线性相关性高,满足相关标准要求。同时,该方法还能避免因焦炉煤气中各形态硫组分浓度差异大所造成的稀释后部分硫化物浓度过
Porous carbons were obtained from rice husk using two different chemical activation methods and they were investigated as supercapacitors.Their properties were studied using X-ray photoelectron spectroscopy,thermal analysis,potentiometric titration,and ni