吸热型碳氢燃料催化脱氢的研究述评

概述了吸热型碳氢燃料的性能特点和开发应用前景,介绍了其催化脱氢方法,指出了今后的研究方向。     

Role of hydrogen in the dissociation of CH4 on different graphene by DFT study

The effect of hydrogen on the growth mechanism of pyrocarbon has attracted much attention. The influence of hydrogen on the dissociation from CH4to C2H2on pristine graphene,N-doped graphene and vacancy graphene have been investigated by using density functional theory.There are two kinds of heterogeneous reaction pathways when the hydrogen is involved, i.e., dehydrogenation reactions and H-abstraction reactions. The transition state calculations were performed to acquire the reaction pathways on...