摘要
After the pyrogenation of carbon black and nanometer-sized iron catalyst at atmospheric pressure and a temperature of 1 100 ℃,new-diamond nanometer-particles were synthesized.The new-diamond was analyzed by X-ray diffraction(XRD).The lattice constant of the new-diamond is determined as 0.359 4 nm.Based on the ab initio principle of density functional theory,the electronic structure of the new-diamond was investigated.The results indicate that the new-diamond is a metallic form of carbon.
After the pyrogenation of carbon black and nanometer-sized iron catalyst at atmospheric pressure and a temperature of 1 100℃, new-diamond nanometer-particles were synthesized. The new-diamond was analyzed by X-ray diffraction（XRD）. The lattice constant of the new-diamond is determined as 0. 359 4 nm. Based on the ab initio principle of density functional theory, the electronic structure of the new-diamond was investigated. The results indicate that the new-diamond is a metallic form of carbon.
出处
《高等学校化学学报》
SCIE
EI
CAS
CSCD
北大核心
2006年第2期343-345,共3页
Chemical Journal of Chinese Universities
基金
国家自然科学基金(批准号:50402025
50234020)资助
关键词
新金刚石
第一性原理
电子结构
New-diamond
Ab initio principle
Electronic structure
