 |
 |
 |
 |
 |
 |
||
 |
 |
 |
 |
 |
| 5 | 1/1 | 返回列表 |
| 查看: 637 | 回復: 4 | ||
| 【獎勵】 本帖被評價3次，作者study163增加金幣 3 個 | ||
| 本帖產(chǎn)生 4 個 計算強帖 ，點擊這里進行查看 | ||
[資源]
【分享】paper-show-Ionization-induced enhancement of hydrogen storage
|
||
|
1,作者：Chun-Sheng Liu and Zhi Zeng(第一作者) 2,所在學�；騿挝唬闼趩挝唬篕ey Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031, People’s Republic of China 3,文章題目 ：Ionization-induced enhancement of hydrogen storage in metalized C2H4 and C5H5 molecules 4,期刊名 ：PHYSICAL REVIEW B 5,年份，卷（期），起止頁碼 ：Volume 79,2009, Pages 245419 6,影響因子 :3.475 7,文章鏈接 ：http://prb.aps.org/abstract/PRB/v79/i24/e245419 8,摘要： The capacity of Li2C2H4+ and TiC5H5+ as hydrogen storage media is studied using first-principles densityfunctionaltheory. The present results indicate that these complexes not only enhance the metal bond strength but also increase the number of nondissociative hydrogen molecules attached. The adsorption capacity of Li2C2H4+27.5 wt % is doubled compared with that of Li2C2H4. The enhanced electrostatic field around the Li atom originating from the increased charge transfers from Li to C2H4+ accounts for the high capacity. For TiC5H5+, the first H2 is adsorbed in molecular form, while it is adsorbed dissociatively on the TiC5H5 complex. This is due to the favorable overlap of the highest occupied molecular orbital of Ti and the lowest unoccupied molecular orbital of H2. Furthermore, the number of adsorbed H2 on TiC5H5 is limited to only four, whereas the number increases to five on TiC5H5+. The availability of the dz2 orbital of Ti in TiC5H5+ has been found to be responsible for the fifth H2 adsorption with a hydrogen uptake of 8.1 wt %. It is demonstrated that controlling the charge state of the metal-organic molecules may play a significant role in the search for hydrogen storage media. 9,文章納米盤鏈接：必須發(fā)到納米盤，方便進不了數(shù)據(jù)庫的朋友查閱。http://d.namipan.com/d/3a5d32664 ... de063952ccf02a00600 [ Last edited by study163 on 2010-11-14 at 08:38 ] |
回復此樓» 猜你喜歡
哈爾濱理工大學物理系招收物理學考研調(diào)劑
已經(jīng)有7人回復
-
0702一志愿吉大B區(qū)求調(diào)劑
已經(jīng)有5人回復
-
物理學I論文潤色/翻譯怎么收費?
已經(jīng)有232人回復
-
求調(diào)劑
已經(jīng)有0人回復
-
0702一志愿吉大B區(qū)求調(diào)劑有論文
已經(jīng)有0人回復
-
請問還有沒有用Latex寫文章的小伙伴們？
已經(jīng)有0人回復
-
光學工程學碩調(diào)劑信息
已經(jīng)有31人回復
-
歡迎加入課題組
已經(jīng)有0人回復
-
散金幣，求好運，祝面上順利！
已經(jīng)有72人回復
-
華東師范大學芯片設計徐瓏真實水平咋樣
已經(jīng)有1人回復
-
調(diào)劑
已經(jīng)有0人回復
» 本主題相關商家推薦: (我也要在這里推廣)
» 本主題相關價值貼推薦，對您同樣有幫助:
- -----------關于vof和mixture模型的選擇，求指教~！
已經(jīng)有4人回復
- 求助Journal of Hazardous materials 投稿經(jīng)驗
已經(jīng)有13人回復
- International journal of Hydrogen energy 狀態(tài)求助
已經(jīng)有10人回復
- 關于高分子量聚丙烯酰胺的hofmann降解的問題
已經(jīng)有3人回復
- turbulent viscosity limited to viscosity ratio of x in x cells,如何解決��！
已經(jīng)有17人回復
- 投international Journal of hydrogen energy 快三個月了還沒消息，怎么辦？
已經(jīng)有6人回復
- 求助International Journal of Hydrogen Energy改稿經(jīng)驗
已經(jīng)有7人回復
- 【求助】Journal of Nanoscience and Nanotechnology
已經(jīng)有11人回復
向牛人學習 2樓2010-11-14 21:31:25
3樓2010-11-14 22:03:10
4樓2010-11-15 15:53:16
5樓2010-11-16 08:23:07
相關版塊跳轉(zhuǎn)
我要訂閱樓主 study163 的主題更新
| 5 | 1/1 | 返回列表 |
| 最具人氣熱帖推薦 [查看全部] | 作者 | 回/看 | 最后發(fā)表 | |
|---|---|---|---|---|
|
[考研] 280分求調(diào)劑 一志愿085802 +4 | PUMPT 2026-03-22 | 7/350 |
|
|---|---|---|---|---|
|
|
[考研] 0854電子信息求調(diào)劑 +3 | α____ 2026-03-22 | 3/150 |
|
|
|
[考研] 284求調(diào)劑 +5 | Zhao anqi 2026-03-22 | 5/250 |
|
|
[考研] 環(huán)境學碩288求調(diào)劑 +6 | 皮皮皮123456 2026-03-22 | 6/300 |
|
|
|
[考研] 289求調(diào)劑 +7 | 懷瑾握瑜l 2026-03-20 | 7/350 |
|
|
|
[考研]
 一志愿東華大學控制學碩320求調(diào)劑
+3
|
Grand777 2026-03-21 | 3/150 |
|
|
|
[考研] 297求調(diào)劑 +3 | 喜歡還是不甘心 2026-03-20 | 3/150 |
|
|
|
[考研] 求調(diào)劑 +3 | 13341 2026-03-20 | 3/150 |
|
|
|
[考研] 0703化學297求調(diào)劑 +3 | Daisy☆ 2026-03-20 | 3/150 |
|
|
|
[考研] 313求調(diào)劑 +4 | 肆叁貳壹22 2026-03-19 | 4/200 |
|
|
|
[考研] 一志愿重慶大學085700資源與環(huán)境總分308求調(diào)劑 +7 | 墨墨漠 2026-03-20 | 7/350 |
|
|
|
[考研] 330求調(diào)劑0854 +3 | assdll 2026-03-21 | 3/150 |
|
|
|
[考研] 265求調(diào)劑 +3 | Jack?k?y 2026-03-17 | 3/150 |
|
|
|
[考研] 一志愿西南交大，求調(diào)劑 +5 | 材化逐夢人 2026-03-18 | 5/250 |
|
|
|
[考研] 材料專業(yè)求調(diào)劑 +6 | hanamiko 2026-03-18 | 6/300 |
|
|
|
[考研] 南京大學化學376求調(diào)劑 +3 | hisfailed 2026-03-19 | 6/300 |
|
|
|
[考研] 288求調(diào)劑 +16 | 于海海海海 2026-03-19 | 16/800 |
|
|
|
[考研] 環(huán)境工程調(diào)劑 +9 | 大可digkids 2026-03-16 | 9/450 |
|
|
|
[考研] 085410人工智能專碩317求調(diào)劑（0854都可以） +4 | xbxudjdn 2026-03-18 | 4/200 |
|
|
|
[論文投稿] 有沒有大佬發(fā)小論文能帶我個二作 +3 | 增銳漏人 2026-03-17 | 4/200 |
|