应《网络安全法》要求，自2017年10月1日起，未进行实名认证将不得使用互联网跟帖服务。为保障您的帐号能够正常使用，请尽快对帐号进行手机号验证，感谢您的理解与支持！

24小时热门版块排行榜    

小木虫论坛-学术科研互动平台» 学术交流区» 论文翻译 » 论文翻译求助完结子版 » 请帮忙翻译一下，谢谢
51/1返回列表
查看: 1297  |  回复: 4
只看楼主 @他人 存档 新回复提醒 (忽略) 收藏    在APP中查看
本帖产生 1 个 翻译EPI ，点击这里进行查看

zhangzhiweia

铁杆木虫 (职业作家)

[交流] 请帮忙翻译一下，谢谢

对于Pt单晶而言，不同晶面其最稳定的吸附位置也不同。例如，Pt(111)表面不同吸附位的结合能相近(约为0.40～0.5ev)。而Pt(100)晶面为C4、局部点群对称性，由于存在三类不等价势能面，分别与表面三类不等价吸附位顶位(T)，桥位(B)和空洞(H)位对应，势必会造成不同吸附位的吸附能不同。Yao等采用密度泛函理论对吸附位顶位(T)，桥位(B)和空洞(H)位进行计算，结果表明，H原子最容易在桥位吸附，吸附能最高为0.91ev，文献xu33采用B3LYP簇模犁的计算结果也表明桥位吸附能量更大。Arvia proved that it was more favorable for H atoms to absorb into Pt surface at bridge sites by EHMO theoretical calculation.我们采用第一性原理进行了计算，也得出了同样的结论，从而进一步证实了在桥位，更有利于发生反应。

As far as single-crystal Pt is concerned, the most stable adsorption position is related to the miller index of crystal planes. For example, for Pt(111), binding-energy which belongs to different adsorption is similar (about 0.40~0.50ev). Meanwhile, for Pt (100), it is belong to C4, local point group of symmetry. Because there are three kinds of non-equivalence potential surfaces, which are corresponding to three kinds of non-equivalence surface adsorption sites: atop site, bridge site, hollow site, respectively, it is an inevitable result that the adsorption energy of different adsorption sites is different. Yao calculated absorption situation at atop site, bridge site, hollow site, respectively by using density functional theory. It was indicated that H atom was most easily absorbed onto bridge site, with a maximum adsorption energy of 0.91ev. Xu proved that the adsorption energy was largest at bridge site using B3LYP cluster mould. Arvia proved that it was more favorable for H atoms to absorb onto Pt surface at bridge sites by EHMO theoretical calculation. We draw the same conclusion by first principle calculation, and it further proved it was favored for the reaction carrying on at bridge site.

[ Last edited by zhangzhiweia on 2010-12-15 at 18:01 ]
回复此楼

» 猜你喜欢

» 抢金币啦！回帖就可以得到:

查看全部散金贴
1楼 2010-12-15 07:56:21
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

zerohead

禁虫 (职业作家)
zhangzhiweia(金币+5, 翻译EPI+1): 2010-12-17 00:56:32
对于Pt单晶而言，不同晶面其最稳定的吸附位置也不同。

For the Pt single crystal, the most stable absorption locations are different for different lattice planes.
赞一下(1人) 回复此楼
2楼2010-12-15 18:02:31
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

zhangzhiweia

铁杆木虫 (职业作家)
呵呵，我先自己翻译了一下，请帮我润色润色吧。
赞一下 回复此楼
3楼2010-12-15 18:02:45
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

zerohead

禁虫 (职业作家)
引用回帖:
Originally posted by zhangzhiweia at 2010-12-15 18:02:45:
呵呵，我先自己翻译了一下，请帮我润色润色吧。

we say "platinum single crystal" or "single crystal of platinum."
赞一下 回复此楼
4楼2010-12-17 02:55:44
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

zerohead

禁虫 (职业作家)
To avoid using two "for"s closely, the second sentence can be rewritten as:

For example, the adsorption binding energies at different locations of Pt (111) are quite similar (about 0.40~0.50eV).
赞一下 回复此楼
5楼2010-12-17 03:09:25
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖
相关版块跳转 我要订阅楼主 zhangzhiweia 的主题更新
51/1返回列表
普通表情 龙 兔 虎 猫 高级回复 (可上传附件)
信息提示
关闭
请填处理意见
关闭