Theoretical Study on the Bonding and Electronic Properties of Ni-Fe-B Amorphous Alloy
文献类型：期刊论文
| 作者 | LIU Dongjie1; FANG Zhigang1; HU Hongzhi1; GAO Jingxue1; FAN Kangnian3; JIANG Hualiang2
|
| 刊名 | Chemical World
 |
| 出版日期 | 2005 |
| 卷号 | 46期号:10页码:583-587 |
| 关键词 | Ni-Fe-B amorphous alloy stable figures electronic properties DFT |
| ISSN号 | 0367-6358 |
| 其他题名 | 非晶态合金Ni-Fe-B体系成键及电子性质的理论研究 |
| 文献子类 | Article |
| 英文摘要 | Ni-Fe-B amorphous alloy with Ni/Fe = 1 ： 1 has been proved to have excellent catalytic activity and selectivity for hydrogenation reaction. A series of cluster Ni2Fe2 B2 have been designed and optimized with DFT methods under electronacceptors, while boron is an electron-donor. That is, the charge transfer is from metalloid to metal which is similar to that of Ni-B, Fe-B and Co-B amorphous alloys. |
| WOS研究方向 | Chemistry (provided by Clarivate Analytics) |
| 语种 | 中文 |
| CSCD记录号 | CSCD:2197101 |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/268321]  |
| 专题 | 药物发现与设计中心 |
| 作者单位 | 1.Anshan University of Science and Technology, Anshan, Liaoning 114044, China.; 2.Shanghai Institute of Materla Medica Chinese Academy of Sciences, Shanghai 201203, China. 3.Department of Chemistry, Fudan University, Shanghai 200433, China.; |
| 推荐引用方式 GB/T 7714 | LIU Dongjie,FANG Zhigang,HU Hongzhi,et al. Theoretical Study on the Bonding and Electronic Properties of Ni-Fe-B Amorphous Alloy[J]. Chemical World,2005,46(10):583-587. |
| APA | LIU Dongjie,FANG Zhigang,HU Hongzhi,GAO Jingxue,FAN Kangnian,&JIANG Hualiang.(2005).Theoretical Study on the Bonding and Electronic Properties of Ni-Fe-B Amorphous Alloy.Chemical World,46(10),583-587. |
| MLA | LIU Dongjie,et al."Theoretical Study on the Bonding and Electronic Properties of Ni-Fe-B Amorphous Alloy".Chemical World 46.10(2005):583-587. |
入库方式： OAI收割
来源：上海药物研究所
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