中国科学院大连化学物理研究所机构知识库
Advanced  
DICP OpenIR  > 中国科学院大连化学物理研究所  > 期刊论文
题名: Establishing and Understanding Adsorption-Energy Scaling Relations with Negative Slopes
作者: Su, Hai-Yan1;  Sun, Keju2;  Wang, Wei-Qi1;  Zeng, Zhenhua1;  Calle-Vallejo, Federico3;  Li, Wei-Xue1, 4
刊名: JOURNAL OF PHYSICAL CHEMISTRY LETTERS
发表日期: 2016-12-15
DOI: 10.1021/acs.jpclett.6b02430
卷: 7, 期:24, 页:5302-5306
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences ;  Technology
类目[WOS]: Chemistry, Physical ;  Nanoscience & Nanotechnology ;  Materials Science, Multidisciplinary ;  Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Chemistry ;  Science & Technology - Other Topics ;  Materials Science ;  Physics
英文摘要: Adsorption energy scaling relations are widely used for the design of catalytic materials. To date, only linear scaling relations are known in which the slopes are positive. Considering the adsorption energies of F, O, N, C, and B on transition metals, we show here that scaling relations with negative slopes also exist between certain adsorbates. The origin of such unconventional scaling relations is analyzed in terms of common descriptors such as d-band center, work function, number of outer electrons, electronic charge on the adsorbates, integrated crystal orbital overlap populations, and crystal orbital Hamilton populations. Conventional scaling relations are formed between adsorbates such as F, O, N, and C, which create ionic-like bonds with surfaces. Conversely, anomalous scaling relations are established between those and covalently bound adsorbates such as B. This widens the theory of adsorption energy scaling relations and opens new avenues in physical chemistry and catalysis, for instance, in direct borohydride fuel cells.
关键词[WOS]: HETEROGENEOUS CATALYSIS ;  COORDINATION NUMBERS ;  SOLID CATALYSTS ;  TRANSITION ;  PLATINUM ;  SURFACES ;  DISSOCIATION ;  DESCRIPTOR ;  OXIDES ;  BOND
语种: 英语
WOS记录号: WOS:000390087000054
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/151828
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

Files in This Item:

There are no files associated with this item.


作者单位: 1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, State Key Lab Catalysis, Dalian 116023, Peoples R China
2.Yanshan Univ, Coll Environm & Chem Engn, Key Lab Appl Chem, Qinhuangdao 066004, Peoples R China
3.Leiden Univ, Leiden Inst Chem, Einsteinweg 55, NL-2333 CC Leiden, Netherlands
4.Univ Sci & Technol China, Coll Chem & Mat Sci, Hefei Natl Lab Phys Sci Microscale, iChEM,CAS Ctr Excellence Nanosci, Hefei 230026, Peoples R China

Recommended Citation:
Su, Hai-Yan,Sun, Keju,Wang, Wei-Qi,et al. Establishing and Understanding Adsorption-Energy Scaling Relations with Negative Slopes[J]. JOURNAL OF PHYSICAL CHEMISTRY LETTERS,2016,7(24):5302-5306.
Service
 Recommend this item
 Sava as my favorate item
 Show this item's statistics
 Export Endnote File
Google Scholar
 Similar articles in Google Scholar
 [Su, Hai-Yan]'s Articles
 [Sun, Keju]'s Articles
 [Wang, Wei-Qi]'s Articles
CSDL cross search
 Similar articles in CSDL Cross Search
 [Su, Hai-Yan]‘s Articles
 [Sun, Keju]‘s Articles
 [Wang, Wei-Qi]‘s Articles
Related Copyright Policies
Null
Social Bookmarking
  Add to CiteULike  Add to Connotea  Add to Del.icio.us  Add to Digg  Add to Reddit 
所有评论 (0)
暂无评论
 
评注功能仅针对注册用户开放,请您登录
您对该条目有什么异议,请填写以下表单,管理员会尽快联系您。
内 容:
Email:  *
单位:
验证码:   刷新
您在IR的使用过程中有什么好的想法或者建议可以反馈给我们。
标 题:
 *
内 容:
Email:  *
验证码:   刷新

Items in IR are protected by copyright, with all rights reserved, unless otherwise indicated.

 

 

Valid XHTML 1.0!
Powered by CSpace