| 查看: 1020 | 回复: 4 | |||
| 本帖产生 1 个 翻译EPI ，点击这里进行查看 | |||
[交流]
帮我看看翻译的对不对，修改一下语法等方面的问题
|
|||
|
In order to characterize probable electrode reaction pathways of adsorption H on Pt(100) surface, we applied energetically the most stable configuration which was obtained from the H adsorption to map out the minimum-energy paths(MEP) using elastic band method. Here, a (4×1) surface unit cell with a slab of three layers thickness(36 Pt atoms) was chosen to model adsorption of H on Pt(100) surface(the single structure determined lattice constant of 8.324Å was used for the production of Pt(100) surface). The slab was repeated periodically with a 13.962Å of vacuum region between the slabs. Plausible intermediates for the H-Pt(100) interactions was initially optimized by placing H atoms at two different active sites on the Pt(100) surface, including “Pt-bridge site and Pt-hollow site”, corresponding to the structure of Pt(100) surface. Obviously, the anode would lose electrons during electrode reaction. The adsorption energy and Pt-H distance for hydrogen on Pt(100) surface after optimization are presented in Table 1. The negative adsorption energy comes from the computational procedure that the geometry optimization is carried out only in no-spin-polarization calculation. Seeing from the Table 1, the adsorption energy for bridge site is larger than the hollow site’s. Namely, bridge site on the terrace is stable after geometry optimization, the hollow site on the terrace maybe the intermediate state. Furthermore, we analyzed Pt-H distance for hydrogen on Pt(100) surface(seen from table 1), Before electrode reaction, the Pt-H distances for the hollow site and bridge site are 2.035 Å, 1.613 Å, respectively. The H-Pt distance at bridge site is shorter than that of hollow site. That is, the bridge site is more stable than another one. After electrode reaction, the Pt-H distances for the hollow site and bridge site are 2.029 Å, 1.607 Å, respectively. Zhang******* used the Morse Potential to calculate Pt-H distance at the most stable state is 1.79 Å, which result is similar to ours. It is found that the distance of Pt-H becomes shorter during the electrode reaction. By comparing the bridge sites with the hollow sites, for Pt-H distance, it shows that the latter is shorter than the former and it is indicated that the adsorption energy for the latter will be larger. In conclusion, adsorption of H on Pt(100) can take place and the best adsorption site is the bridge site. |
回复此楼» 猜你喜欢
三无产品还有机会吗
已经有4人回复
-
投稿返修后收到这样的回复，还有希望吗
已经有7人回复
-
压汞仪和BET测气凝胶孔隙率
已经有4人回复
-
博士申请都是内定的吗？
已经有14人回复
-
谈谈两天一夜的“延安行”
已经有13人回复
-
氨基封端PDMS和HDI反应快速固化
已经有11人回复
-
之前让一硕士生水了7个发明专利，现在这7个获批发明专利的维护费可从哪儿支出哈？
已经有11人回复
-
论文投稿求助
已经有4人回复
-
Applied Surface Science 这个期刊。有哪位虫友投过的能把word模板发给我参考一下嘛
已经有3人回复
-
投稿精细化工
已经有6人回复
» 抢金币啦！回帖就可以得到:
-
2026上海理工大学 光学工程博士招生（优青教授课题组，集成光机电、传感方向）
+5/410
-
89年大龄青年寻找一位此生愿与君白首,不负花开不负卿
+1/157
-
招募有意申请四年制中国国家留学基金委奖学金（CSC）的博士研究生
+1/78
-
香港科技大学 Abhishek Kumar Srivastava 教授课题组 招收博士生
+1/74
-
真诚相亲
+1/63
-
杭州某上市公司招聘一位原料合成经理
+1/43
-
哈工大深圳校区 博士招生 燃料电池/电解制氢
+1/39
-
上海交通大学招聘碳资源催化反应方向博士后
+1/34
-
中国科学院大学杰青团队招聘脂质体代谢方向博士后
+1/34
-
招聘陶瓷材料方向博后
+1/33
-
湖南师范大学杨亚辉/江浩团队招收电催化方向2026年博士生1名
+1/31
-
济南大学招收分析化学背景博士后及2026申请考核制博士
+1/30
-
生物力学 细胞力学牵张拉伸仪 剪切压缩仪等国产自研设备 免费试用30天 全流程科研支持
+1/12
-
【长期有效】北理工柔性电子国家杰青团队招博士后
+1/7
-
山东大学药学院蔡容课题组诚招2026级申请考核制博士生
+1/6
-
作物育种方向招聘副研、科研助理和实验技术员
+1/6
-
北京工业大学韩晓东课题组招收博士研究生
+1/4
-
哈尔滨工业大学（深圳）侯珂课题组诚聘博士后、博士生
+1/4
-
辽宁大学环境工程招收“申请考核”制博士研究生1名（环境工程）（2026年）
+1/2
-
德国马普所招三名CSC博士生 （工资补到德国标准）
+1/2
|
The first 2 sentences are rearranged: In order to characterize the probable electrode reaction pathways of H adsorption on Pt (100) surface, the most stable (energy) configuration was applied. By using elastic band method, the configuration was obtained from the minimum-energy paths (MEP) of the H adsorption. |
2楼2010-12-11 12:20:27
3楼2010-12-11 13:02:43
4楼2010-12-11 13:03:09
zhangzhiweia(金币+5, 翻译EPI+1):谢谢，您辛苦了 2010-12-11 18:21:55
| The most energetically stable configuration was obtained from the H adsorption by using elastic band method and was utilized to characterize probable electrode reaction pathways of adsorption H on Pt(100) surface by maping out the minimum-energy paths(MEP). A (4×1) surface unit cell with a slab of three layers thickness(36 Pt atoms) was selected to model adsorption of H on Pt(100) surface(the single structure determined lattice constant of 8.324Å was used for the production of Pt(100) surface). The slab was repeated periodically with a 13.962Å in vacuum region between the slabs. Plausible intermediates for the H-Pt(100) interactions was initially optimized by placing H atoms at two different active sites on the Pt(100) surface, including “Pt-bridge site and Pt-hollow site”, corresponding to the structure of Pt(100) surface. During electrode reaction，the anode would lose electrons. After optimization，the adsorption energy and Pt-H distance for hydrogen on Pt(100) surface are presented in Table 1. The negative adsorption energy comes from the computer procedure that the geometry optimization is carried out only in no-spin-polarization calculation. As shown in Table 1, the adsorption energy for bridge site is larger than that for the hollow site. Namely, bridge site on the terrace is more stable after geometry optimization, the hollow site on the terrace might be under the intermediate state. Furthermore, Pt-H distance for hydrogen on Pt(100) surface(seen from table 1) was analyzed. Before electrode reaction, the Pt-H distances for the hollow site and bridge site are 2.035 Å, 1.613 Å respectively. The H-Pt distance at bridge site is shorter than that at hollow site. That is, the bridge site is more stable than another. After electrode reaction, the Pt-H distances for the hollow site and bridge site are 2.029 Å and1.607 Å, respectively. Zhang******* reported the morse Potential of 1.79 Å for calculating Pt-H distance at the most stable state, similar to our result. The distance of Pt-H was found to become shorter in the electrode reaction. The Pt-H distance for the bridge sites is shorter as compared with that for the hollow sites, indicating that the adsorption energy for the latter will be larger. In conclusion, the best adsorption of H on Pt(100) occurs in the bridge site. |
5楼2010-12-11 13:24:28