...
  • 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Anion photoelectron spectroscopy and density functional investigation of vanadium carbide clusters
【24h】

Anion photoelectron spectroscopy and density functional investigation of vanadium carbide clusters

机译：钒钒团簇的阴离子光电子能谱和密度泛函研究

获取原文
获取原文并翻译 | 示例
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

The influence of source conditions on vanadium-carbon cluster formation in a methane-vanadium plasma is explored and analyzed by photoelectron spectroscopy, revealing that the metal-carbon ratio has substantial influence over the cluster products. Experiments that employ large methane content produce carbon-rich mono-and divanadium carbides. The carbon-rich clusters show a preference for the formation of cyclic neutral and linear ionic structures. When the methane concentration is decreased, VmCn clusters are formed with m = 1-4 and n = 2-8. The photoelectron spectra of clusters formed under these conditions are indicative of a three-dimensional network. We have measured a significantly lower vertical electron affinity for the VC2, V2C3, and V4C6 clusters compared with proximate species. Interestingly, the VC2 species is a proposed building block of the M8C12 Met-Car cluster, and the 2,3 and 4,6 clusters correspond to the 1/4 and 1/2 Met-Car cages, respectively. This correlation is taken as evidence of their importance in the formation of the larger Met-Car species. These results are supported by density functional theory (DFT) calculations carried out at the PBE/GGA level.
机译：通过光电子能谱研究和分析了源条件对甲烷-钒等离子体中钒碳簇形成的影响，发现金属碳比对簇产物有重要影响。使用大量甲烷的实验会产生富含碳的单碳化二钒。富含碳的簇优先显示环状中性和线性离子结构的形成。当甲烷浓度降低时，形成VmCn团簇，其中m = 1-4和n = 2-8。在这些条件下形成的团簇的光电子能谱指示三维网络。我们已经测量了与附近物种相比，VC2，V2C3和V4C6簇的垂直电子亲和力明显更低。有趣的是，VC2物种是M8C12 Met-Car笼的拟议构建基块，而2,3和4,6簇分别对应于1/4和1/2 Met-Car笼。这种相关性被视为它们在较大的Met-Car物种形成中的重要性的证据。这些结果得到了在PBE / GGA级别进行的密度泛函理论（DFT）计算的支持。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号