Prominently Improved Hydrogen Purification and Dispersive Metal Binding for Hydrogen Storage by Substitutional Doping in Porous Graphene
文献类型：期刊论文
| 作者 | Lu, Ruifeng1; Rao, Dewei1; Lu, Zelin1; Qian, Jinchao1; Li, Feng1; Wu, Haiping1; Wang, Yaqi1; Xiao, Chuanyun1; Deng, Kaiming1; Kan, Erjun1 |
| 刊名 | journal of physical chemistry c
 |
| 出版日期 | 2012-10-11 |
| 卷号 | 116期号:40页码:21291-21296 |
| ISSN号 | 1932-7447 |
| 产权排序 | 2,11 |
| 通讯作者 | 陆瑞峰 ; erjunkan ; 邓伟侨 |
| 英文摘要 | by density functional theory calculations, we demonstrate that the high selectivity for h-2 permeability relative to ch4, co, and co2 could be fine adjusted by b or n doping in porous graphene (pg), which is very useful for separation of h-2 from the mixed gases. also, the atomically dispersed li and ca bindings to the polyphenylene structure are significantly enhanced by b doping. the average binding energies for fully adsorbed li and ca atoms on 2b-pg of 1.62 and 1.75 ev are greatly larger than 0.68 and 1.05 ev for pure pg, respectively. it is beneficial to experimental metal decoration since these values exceed the cohesive energies per atom of bulk li and ca. grand canonical monte carlo simulations show that the high h-2 storage capacities with 6.4 wt % for li-decorated 2b-pg and 6.8 wt % for ca-decorated 2b-pg can be obtained at 298 k and 100 bar. thus, pg through successful controlled synthesis and available doping technology will be expected to achieve the coming hydrogen economy. |
| WOS标题词 | science & technology ; physical sciences ; technology |
| 学科主题 | 物理化学 |
| 类目[WOS] | chemistry, physical ; nanoscience & nanotechnology ; materials science, multidisciplinary |
| 研究领域[WOS] | chemistry ; science & technology - other topics ; materials science |
| 关键词[WOS] | organic frameworks ; graphite structure ; doped graphene ; energy ; membranes ; design ; deposition ; separation ; reduction ; capacity |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000309649000019 |
| 公开日期 | 2013-10-11 |
| 源URL | [http://159.226.238.44/handle/321008/117756]  |
| 专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
| 作者单位 | 1.Nanjing Univ Sci & Technol, Dept Appl Phys, Nanjing 210094, Jiangsu, Peoples R China 2.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China |
| 推荐引用方式 GB/T 7714 | Lu, Ruifeng,Rao, Dewei,Lu, Zelin,et al. Prominently Improved Hydrogen Purification and Dispersive Metal Binding for Hydrogen Storage by Substitutional Doping in Porous Graphene[J]. journal of physical chemistry c,2012,116(40):21291-21296. |
| APA | Lu, Ruifeng.,Rao, Dewei.,Lu, Zelin.,Qian, Jinchao.,Li, Feng.,...&Deng, Weiqiao.(2012).Prominently Improved Hydrogen Purification and Dispersive Metal Binding for Hydrogen Storage by Substitutional Doping in Porous Graphene.journal of physical chemistry c,116(40),21291-21296. |
| MLA | Lu, Ruifeng,et al."Prominently Improved Hydrogen Purification and Dispersive Metal Binding for Hydrogen Storage by Substitutional Doping in Porous Graphene".journal of physical chemistry c 116.40(2012):21291-21296. |
入库方式： OAI收割
来源：大连化学物理研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。