| 查看: 520 | 回复: 2 | |||
| 本帖产生 1 个 翻译EPI ，点击这里进行查看 | |||
| 当前只显示满足指定条件的回帖，点击这里查看本话题的所有回帖 | |||
[交流]
请帮忙修改润色一下
|
|||
|
During past decades, fuel cells have become the focus of the scientific research area all over world is for the emissions of carbon dioxide and global greenhouse effect., so the higher energy conversion methods are needed badly. It is well known that electrode is one of important parts for the fuel cells. Electrode function quality is mainly determined by the property of catalyst, electrode materials and the manufacture craft[1-6]. Precious metals were most thought to be more applicable to most the electrode reaction of the fuel cell due to their special physics and chemistry property, especially the platinum and platinum-based alloy catalyst have higher electricity catalytic activity. During the electro-catalytic reaction of fuel cells, the adsorption activation and desorption of hydrogen on catalyst surface are the key steps of the catalytic reaction Hence, a wealth of experimental and theoretical data have been accumulated, and a clear picture of the features induced by the hydrogen adsorption has emerged. Gas-solid heterogeneous catalysis results from the fact that the forcefield of the atoms or molecules on the solid surface is unsaturated, which leads to the ability of attracting other molecules. There are mainly two kinds of attractions leading to absorption of gas molecules onto solid surface, physical adsorption and chemical adsorption. Furthermore, the chemical adsorption is much stronger than the physical one and can be regarded as a kind of chemical reaction resulting in some surface compounds. There are usually two kinds of models dealing with the activities of heterogeneous catalysis reaction of Pt including single crystal model and cluster model. The single crystal model is often employed when considering the periodic repetition of space for the research objects. But concerning adsorption activation on the Pt single-crystal surface for small gas molecules, such as hydrogen molecules, at present, most researcher pay more and more attention to the most stable adsorbed position for hydrogen molecules. 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 model. 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-principles calculations, and it further proved it was favored for the reaction carrying on at bridge site.(此处需引出创新点) In order to reveal the nature of electrode reaction, we study the electrode reaction, adsorption site and electronic structure at the region of anode H atom on Pt(100) surface in this paper. This paper is organized as follows: 1, the computational methods are concisely described in section 2; 2, the results and analysis are presented and discussed in section 3; 3, the results are summarized in section 4. |
回复此楼» 猜你喜欢
售一区SCI文章T0P，我:8O.551.O54,科目全,可十急
已经有7人回复
-
售SCI一区T0P文章，我:8O.55.1.O.54,科目全,可伽急
已经有10人回复
-
售SCI一区文章，我:8.O.551.O.5.4,科目全,可伽急
已经有6人回复
-
售SCI文章，我:8O.5.5.1O.54,科目全,可十急
已经有8人回复
-
售SCI文章，我:8O.5.5.1O.54,科目全,可十急
已经有5人回复
-
售SCI一区T0P文章，我:8O.55.1.O.5.4,科目齐全,可+急
已经有10人回复
-
售SCI一区T0P文章，我:8.O55.1.O.54,科目全,可十急
已经有8人回复
-
国社科又开始会评了，不知道这次命运如何
已经有14人回复
-
售SCI一区文章，我:8.O.55.1.O.54,科目齐全,可伽急
已经有8人回复
-
麻烦专家们看看评委们的意见（F口面上）
已经有13人回复
» 抢金币啦！回帖就可以得到:
-
【征稿中！】2026年机械、制造技术与材料国际会议 (MEMTM 2026)
+1/640
-
山东大学晶体材料全国重点实验室招收2027年锂金属电池负极材料博士一名
+1/99
-
南京大学医学院附属鼓楼医院 肿瘤疫苗与纳米医学团队 博士后招聘
+1/94
-
课题组招推免硕士和直博生。华中科技大学光电学院发光材料与器件团队。
+1/93
-
课题组招推免硕士和直博生。华中科技大学光电学院发光材料与器件团队。
+1/93
-
上海交通大学周宝文课题组招收2027年申请考核制博士研究生
+1/90
-
香港城市大学分子电子学方向招收2027年夏季和秋季入学博士生
+1/55
-
以色列理工-生物质、塑料等催化转化2-3名---全奖博士研究生（随时入学）和科研助理
+1/30
-
神经生物学，基础医学，科研助理招聘
+1/23
-
新加坡国立大学Sibudjing Kawi教授课题组part-time PhD（热催化/等离子体催化方向）
+1/10
-
北京科技大学能源与环境工程学院 博士、博士后招聘启事
+1/10
-
浙江大学招聘2027年生物医学工程直博生
+1/6
-
西南交通大学力学与航空航天学院 蒋晗 教授课题组招收硕士/博士研究生
+1/6
-
中国地质大学（北京）人工智能、电子信息方向招收博士硕士研究生（长期有效）
+1/5
-
南京大学FinTech大模型实验室招募斯坦福国际联培博士和博后及科研助理、实习生
+1/5
-
慢性阻塞性肺疾病（COPD）多因子蛋白检测：挖掘炎症损伤分子机制
+1/3
-
【科研诚信】武汉轻工大学何江玲3篇论文：涉嫌抄袭、成组数据重复、制造虚假显著
+1/3
-
义翘神州推出全长p-Tau217蛋白，助力阿尔茨海默病下一代生物标志物检测开发
+1/2
-
硅纳米颗粒诱导肺损伤相关中性粒细胞胞外诱捕网机制
+1/2
-
结肠炎多维度分子解析：炎症‑免疫‑肠道屏障一体化检测策略
+1/1
3楼2010-12-16 09:04:47
zhangzhiweia(金币+5, 翻译EPI+1): 2010-12-17 01:18:32
|
During past decades, fuel cells have become the focus of the scientific research area all over the world due to the emissions of carbon dioxide and global greenhouse effec, so that the higher energy conversion methods are needed badly. It is well known that electrode is one of important parts for the fuel cells. Electrode function quality is mainly determined by the property of catalyst, electrode materials and the manufacture craft[1-6]. Precious metals were most thought to be more applicable to most the electrode reaction of the fuel cell due to their special physics and chemistry property, especially the platinum and platinum-based alloy catalyst have higher electricity catalytic activity. During the electro-catalytic reaction of fuel cells, the adsorption activation and desorption of hydrogen on catalyst surface are the key steps of the catalytic reaction Hence, a wealth of experimental and theoretical data have been accumulated, and a clear picture of the features induced by the hydrogen adsorption has emerged. Gas-solid heterogeneous catalysis results from the fact that the forcefield of the atoms or molecules on the solid surface is unsaturated, which leads to the ability of attracting other molecules. There are mainly two kinds of attractions leading to absorption of gas molecules onto solid surface, physical adsorption and chemical adsorption. Furthermore, the chemical adsorption is much stronger than the physical one and can be regarded as a kind of chemical reaction resulting in some surface compounds. There are usually two kinds of models dealing with the activities of heterogeneous catalysis reaction of Pt including single crystal model and cluster model. The single crystal model is often employed when considering the periodic repetition of space for the research objects. But concerning adsorption activation on the Pt single-crystal surface for small gas molecules, such as hydrogen molecules, at present, most researcher pay more and more attention to the most stable adsorbed position for hydrogen molecules. 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 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 model. 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-principles calculations, and further proved it was favored for the reaction carrying on at bridge site.(此处需引出创新点) In order to reveal the nature of electrode reaction, we study the electrode reaction, adsorption site and electronic structure at the region of anode H atom on Pt(100) surface in this paper. This paper is organized as follows: 1, the computational methods are concisely described in section 2; 2, the results and analysis are presented and discussed in section 3; 3, the results are summarized in section 4. |
2楼2010-12-15 23:39:37
