The cobalt carbide (Co₂C) innovatively prepared from Co–Mn layered double hydroxide (CoMn LDH) has been investigated and evaluated toward its alternative synthesis conditions and different catalytic performances. Along with various characterization techniques, the preparation basically contains four steps (synthesis of CoMn LDH, calcination, reduction, and crystallization) that transform CoMn LDH to CoMn spinel and then to Co₂C. Catalyst evaluation toward toluene pyrolysis was conducted. The sample with Co₂C exhibited almost 100% conversion rate of toluene, where the resulting hydrogen yield (∼1.8%) is 6 times more than that of the blank test by using silica sand (∼0.3%), realizing the full transfer of hydrogen element from toluene to hydrogen molecule. Furthermore, based on the textural analysis and density functional dispersion correction calculation, which theoretically explained the easy accessibility of toluene to the crystal surface of Co₂C(001) with a relatively high adsorption energy (about −280 kJ mol^–1), it suggested that Co₂C may expand more extensive applications in the field of catalysis.

中文翻译：

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Co-Mn层状双氢氧化物中的碳化钴：甲苯热解的高效催化剂

已经研究和评估了由钴锰层状双氢氧化物（CoMn LDH）创新制备的碳化钴（Co ₂ C）的替代合成条件和不同的催化性能。随着各种表征技术，该制剂基本上包含变换期CoMn LDH到期CoMn尖晶石，然后对Co四个步骤（期CoMn LDH，焙烧，还原，和结晶的合成）₂ C.催化剂评价朝向甲苯裂解物进行。Co ₂样品C表现出几乎100％的甲苯转化率，所产生的氢产率（〜1.8％）是使用硅胶砂（〜0.3％）的空白试验的6倍，实现了氢元素从甲苯向甲苯的完全转移。氢分子。此外，基于结构分析和密度泛函校正计算，从理论上解释了甲苯易于以较高的吸附能（-280 kJ mol ^–1）进入Co ₂ C（001）的晶体表面，这表明Co ₂ C可能会在催化领域扩展更广泛的应用。