High-performance Field Emission Rare Earth Tungsten Alloy Cathodes Dataest

Based on first-principles calculations using density functional theory, this study constructs atomic models of W cathode surfaces doped with different rare earth atoms. Using a (2×2×1) W(001) surface model, 1 ML of O atoms is adsorbed on the top site of the surface, followed by doping rare earth atoms (La, Ce, Y) into the W-O lattice vacancy sites. The work functions of the system with rare earth atom coverages of 0.5 ML and 1 ML were calculated. Through liquid phase synthesis, plasma discharge sintering, and heat treatment, nano-scale second-phase rare earth oxides (La₂O₃, CeO₂, Y₂O₃, etc.)–tungsten cathodes were produced. Different ignition experiments were designed to simulate various operating conditions. The cascade arc plasma source was used for mass-loss and lifetime prediction tests on the cathode materials. After testing, SEM and EDS microscopic characterizations of the cathode materials were conducted to analyze their composition, morphology, and elemental distribution.

本研究基于密度泛函理论(Density Functional Theory)的第一性原理计算，构建了掺杂不同稀土原子的钨(W)阴极表面原子模型。采用(2×2×1)晶面的钨(001)表面模型，将1单层(ML)氧原子吸附于该表面的顶位，随后将稀土原子（镧La、铈Ce、钇Y）掺杂至W-O晶格的空位位点中。计算了稀土原子覆盖度分别为0.5 ML与1 ML时该体系的功函数。通过液相合成、等离子放电烧结与热处理工艺，制备了纳米级第二相稀土氧化物（La₂O₃、CeO₂、Y₂O₃等）-钨阴极材料。设计多组点火实验以模拟多种运行工况，随后采用级联电弧等离子体源对阴极材料开展质量损失与寿命预测测试。测试完成后，对阴极材料进行扫描电子显微镜(Scanning Electron Microscope, SEM)与能量色散X射线能谱(Energy Dispersive Spectrometer, EDS)微观表征，以分析其成分、形貌与元素分布。

搜集汇总

背景与挑战

背景概述

该数据集基于第一性原理计算和实验制备，研究了稀土钨合金阴极材料的场发射性能。通过构建不同稀土原子掺杂的钨表面原子模型计算功函数，并制备纳米稀土氧化物-钨阴极进行点火实验和等离子测试，最终通过微观表征分析材料成分与形貌。数据集结合了理论计算、材料合成、性能测试和微观分析的全链条研究数据。