Removal of surface O through forming H2O as well as the activation of CO on the Co(0001)surface from

来源 :第十三届全国量子化学会议 | 被引量 : 0次 | 上传用户：jh_viso1

【摘要】

：

Surface O removal by H and CO as well as the mechanisms of H-and OH-assisted CO activation and the consecutive C-C coupling on the flat Co(0001)surface have been computed at the level of periodic RPBE

【作者】

：

Shaoli Liu Xiaodong Wen Yong-Wang Li Jianguo Wang Haijun Jiao

【机构】

：

State Key Laboratory of Coal Conversion,Institute of Coal Chemistry,Chinese Academy of Sciences,Taiy

【出处】

：

第十三届全国量子化学会议

【发表日期】

：

2017年10期

【关键词】

：

lateral heterostructure group-IV monochalcogenide band alignment

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