生物质衍生的化合物氧含量太高, 需要进行脱氧精制, 即在催化剂作用下氢解碳氧键, 同时要避免开环和破坏碳碳键。常规过渡金属催化剂有过量加氢和易氧化失活等问题。过渡金属碳化物被称为类贵金属;当过渡金属以原子级分散时,金属-碳之间形成稳定的共价键具有一定挑战性。我们近期采用可工业化宏量制备的方法合成了同时含有Co单原子/原子簇和CoOx纳米粒子的Co-石墨烯纳米复合材料(Co/rGO)。具有特定晶型和能带结构的还原氧化石墨烯(rGO)参与了催化活性位的构建，使Co/rGO表现出优异催化性能：无需还原预处理，对解离碳氧键表现出很强的专一性，活性高、稳定性好。本项目拟以Co/rGO为切入点，采用实验、表征和理论计算相结合的方法深入研究过渡金属与石墨烯复合作用机制，及其协同增强定向氢解碳氧键的催化机理，为构建新型免预还原和定向氢解生物质衍生物碳氧键的过渡金属催化剂提供理论依据和技术方法。

The biomass derived compounds, such as funans，carboxylics, phenols, alcohols, etc., contain too much oxygen, which hinders their extensive applications．Therefore, it is necessary to remove the oxygen by a hydrodeoxygenation process. The key to deoxidation treating is the development of efficient catalysts for hydrogenation of C=O/C-O bonds to reduce O, without affecting the rings and the C=C/C–C bonds. A series of transition metal catalysts revealed two issues during hydrodeoxygenation: excessive hydrogenation and reoxidization of the active metallic species into metallic oxides. Transition metallic carbides are the most promising alternatives to the noble metals. However, formation of metal-carton covalent bonds can be quite challenging when the metals are not dispersed in crystals but in single atoms/clusters. We recently used a feasible method to synthesize a cobalt–graphene nanomaterial (Co/rGO) that contained the Co species in the forms of single Co atoms/Co clusters and CoOx nanoparticles on the graphene surface. The reduced graphene oxide (rGO) with crystalline texture participated in elaboration of the efficient catalytic active sites. The synergy of single Co atoms/Co clusters and CoOx nanoparticles in combination with the modulation effect of rGO dominated the superior catalytic performance of the Co/rGO catalyst, including omission of the pre-reduction treatment, high specificity for cleavage of C=O/C–O bonds，excellent catalytic activity and good reusability. In this project, Co/rGO is used as a focal point to probe into the hybrid mechanism of the transition metal–graphene composite materials. The structure-activity relationships of these composite materials as functional catalysts in cleavage of C=O/C–O bonds will be investigated by using the method combined with related experiment, characterization results and theoretical computations. The research results will provide theories and technologies for the development of catalysts for hydrodeoxygenation of the biomass derived compounds with excellent performances, such as, omission of the pre-reduction treatment and high specificity for cleavage of C=O/C–O bonds.