Predicting the structural and electronic properties of transition metal monoxides from bulk to surfa

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

【摘要】

：

We systematically investigate the structural,electronic and magnetic properties,bonding analysis,as well as surface morphology of transition metal monoxides(FeO,CoO and NiO)utilizing density functiona

【作者】

：

Jin-Jia Liu Xiao-Dong Wen

【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】

：

transition metal monoxides Density Functional theory surface morphology

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