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首页> 外文期刊>The journal of physical chemistry, C. Nanomaterials and interfaces >Ethanol and Acetaldehyde Decomposition on Co(0001): The Effect of Hydrogen Atom on C-O Bond Scission
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Ethanol and Acetaldehyde Decomposition on Co(0001): The Effect of Hydrogen Atom on C-O Bond Scission

机译：CO（0001）上的乙醇和乙醛分解：氢原子对C-O键群的影响

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Fischer-Tropsch synthesis (FTS) with Co-based catalysts has attracted renewed interest in recent years due to its potential applications to produce transportation fuels. However, experimental investigations about the FT mechanism at the atomic level, especially for the essential C-O bond scission step, are rarely carried out. Using the temperature-programmed desorption method, we have investigated the mechanism of C-O bond scission in the decomposition of ethanol (C2H5OH) and acetaldehyde (CH3CHO). We have clearly found that the H atom attached to the C-end of the CO molecule is significant for C-O bond scission accompanied by CH3 at the C-end. Otherwise, C-C bond scission will occur facilely if only a CH3 group is attached to the C-end of the CO molecule. These results indicate that CH3CHO may be an important intermediate in FTS for C-O bond scission to produce C2Hx or for C-2+( )oxygenate production. Moreover, the H atoms on the Co(0001) surface could largely inhibit the dehydrogenation of the H atom at the C-end of CO, leading to an enhancement of C-O bond scission. The results for the first time demonstrate that, except the CH3 radical at the C-end of the CO molecule, an additional H atom at the C-end of the CO molecule and the surface H atoms play vital roles in promoting the C-O bond scission in the FT process as well.
机译：由于其潜在的应用来生产运输燃料，Fischer-Tropsch合成（FTS）近年来近年来引起了更新的兴趣。然而，很少对原子水平的FT机制进行关于基因水平的实验研究，特别是对于必需的C-O键易裂解步骤。使用温度编程的解吸方法，我们研究了C-O键易分解在乙醇（C2H5OH）和乙醛（CH3CHO）的分解中的机制。我们已经清楚地发现，附着于CO分子的C末端的H原子对于C-O粘合的CON伴有C-END的C-O键易分性是显着的。否则，如果仅将CH3组连接到CO分子的C末端，则将易于发生C-C键易分泌。这些结果表明，CH 3℃可以是FTS的重要中间体，用于产生C-O键易分泌的C-O键或C-2 +（）含氧化合物。此外，CO（0001）表面上的H原子可能在很大程度上抑制CO末端H原子的脱氢，从而提高C-O键易裂变。第一次的结果表明，除Co分子的C-末端的CH3基团外，CO分子的C-末端的另外的H原子和表面H原子在促进CO键易分泌方面发挥着至关重要的作用在FT过程中也是如此。

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    Chen Jun; Guo Qing; Wu Jiawei; Dai Dongxu; Chen Maodu; Yang Xueming;

  • 作者单位

    Dalian Univ Technol Key Lab Mat Modificat Laser Electron &

    Ion Beams Minist Educ Sch Phys Dalian 116023 Liaoning Peoples R China;

    Dalian Inst Chem Phys State Key Lab Mol React Dynam 457 Zhongshan Rd Dalian 116023 Liaoning Peoples R China;

    Dalian Inst Chem Phys State Key Lab Mol React Dynam 457 Zhongshan Rd Dalian 116023 Liaoning Peoples R China;

    Dalian Inst Chem Phys State Key Lab Mol React Dynam 457 Zhongshan Rd Dalian 116023 Liaoning Peoples R China;

    Dalian Univ Technol Key Lab Mat Modificat Laser Electron &

    Ion Beams Minist Educ Sch Phys Dalian 116023 Liaoning Peoples R China;

    Dalian Inst Chem Phys State Key Lab Mol React Dynam 457 Zhongshan Rd Dalian 116023 Liaoning Peoples R China;

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  • 正文语种 eng
  • 中图分类 物理化学（理论化学）、化学物理学;
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