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¶ÔÓÚPtµ¥¾§¶øÑÔ£¬²»Í¬¾§ÃæÆä×îÎȶ¨µÄÎü¸½Î»ÖÃÒ²²»Í¬¡£ÀýÈ磬Pt(111)±íÃæ²»Í¬Îü¸½Î»µÄ½áºÏÄÜÏà½ü(ԼΪ0.40¡«0.5ev)¡£¶øPt(100)¾§ÃæÎªC4¡¢¾Ö²¿µãȺ¶Ô³ÆÐÔ£¬ÓÉÓÚ´æÔÚÈýÀ಻µÈ¼ÛÊÆÄÜÃæ£¬·Ö±ðÓë±íÃæÈýÀ಻µÈ¼ÛÎü¸½Î»¶¥Î»(T)£¬ÇÅλ(B)ºÍ¿Õ¶´(H)λ¶ÔÓ¦£¬ÊƱػáÔì³É²»Í¬Îü¸½Î»µÄÎü¸½Äܲ»Í¬¡£YaoµÈ²ÉÓÃÃܶȷºº¯ÀíÂÛ¶ÔÎü¸½Î»¶¥Î»(T)£¬ÇÅλ(B)ºÍ¿Õ¶´(H)λ½øÐмÆË㣬½á¹û±íÃ÷£¬HÔ­×Ó×îÈÝÒ×ÔÚÇÅλÎü¸½£¬Îü¸½ÄÜ×î¸ßΪ0.91ev£¬ÎÄÏ×xu33²ÉÓÃB3LYP´ØÄ£ÀçµÄ¼ÆËã½á¹ûÒ²±íÃ÷ÇÅλÎü¸½ÄÜÁ¿¸ü´ó¡£Arvia proved that it was more favorable for H atoms to absorb into Pt surface at bridge sites by EHMO theoretical calculation.ÎÒÃDzÉÓõÚÒ»ÐÔÔ­Àí½øÐÐÁ˼ÆË㣬ҲµÃ³öÁËͬÑùµÄ½áÂÛ£¬´Ó¶ø½øÒ»²½Ö¤ÊµÁËÔÚÇÅ룬¸üÓÐÀûÓÚ·¢Éú·´Ó¦¡£

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 ]

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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).
5Â¥2010-12-17 03:09:25
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zhangzhiweia(½ð±Ò+5, ·­ÒëEPI+1): 2010-12-17 00:56:32
¶ÔÓÚPtµ¥¾§¶øÑÔ£¬²»Í¬¾§ÃæÆä×îÎȶ¨µÄÎü¸½Î»ÖÃÒ²²»Í¬¡£

For the Pt single crystal, the most stable absorption locations are different for different lattice planes.
2Â¥2010-12-15 18:02:31
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3Â¥2010-12-15 18:02:45
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Originally posted by zhangzhiweia at 2010-12-15 18:02:45:
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we say "platinum single crystal" or "single crystal of platinum."
4Â¥2010-12-17 02:55:44
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