Theoretical Insights and the Corresponding Construction of Supported Metal Catalysts for Highly Selective CO2 to CO Conversion
文献类型：期刊论文
| 作者 | Zhang, Tao2,4; Chen, Xiaodong4,5; Su, Xiong4; Su, Hai-Yan1; Liu, Xiaoyan4; Miao, Shu4; Zhao, Yonghui1; Sun, Keju3; Huang, Yanqiang2,4 |
| 刊名 | ACS CATALYSIS
 |
| 出版日期 | 2017-07-01 |
| 卷号 | 7期号:7页码:4613-4620 |
| 关键词 | CO2 conversion RWGS reaction supported metal catalysts theoretical insights selectivity |
| 英文摘要 | Exploration of highly selective catalysts for the reverse water-gas shift reaction, which can serve as a pivotal stage of transitioning abundant CO2 resources into chemicals or fuels, still remains a great challenge. Here, we offer a guideline about this matter on the basis of exploration of the evolution of the main intermediates during CO2 hydrogenation over a library of supported metal catalysts with density functional calculations. We identified that a high selectivity toward this reaction was correlated with the energy difference between the dissociation barrier and the desorption energy of metal carbonyls over supported metal catalysts. Generally, decreasing the coordination number of metal sites to single-atom or moving supported metals to the lower right corner in the transition-metal series hindered the carbonyl dissociation but improved CO desorption, giving rise to increased CO selectivity. Furthermore, the above strategies were truly confirmed by measuring the catalytic performance that occurred on the real synthetic catalysts. |
| WOS标题词 | Science & Technology ; Physical Sciences |
| 类目[WOS] | Chemistry, Physical |
| 研究领域[WOS] | Chemistry |
| 关键词[WOS] | WATER-GAS SHIFT ; HETEROGENEOUS CATALYSIS ; PRODUCT SELECTIVITY ; METHANOL SYNTHESIS ; PT/TIO2 CATALYSTS ; CARBON-MONOXIDE ; GENERAL TRENDS ; ACTIVE-SITE ; PLANE-WAVE ; REDUCTION |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000405360800050 |
| 源URL | [http://cas-ir.dicp.ac.cn/handle/321008/149938]  |
| 专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
| 作者单位 | 1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, 457 Zhongshan Rd, Dalian 116023, Peoples R China 2.Chinese Acad Sci, Dalian Inst Chem Phys, iChEM Collaborat Innovat Ctr Chem Energy Mat, Dalian 116023, Peoples R China 3.Yanshan Univ, Key Lab Appl Chem, Coll Environm & Chem Engn, Yanshan 066004, Hebei, Peoples R China 4.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Catalysis, 457 Zhongshan Rd, Dalian 116023, Peoples R China 5.Univ Chinese Acad Sci, Beijing 100049, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhang, Tao,Chen, Xiaodong,Su, Xiong,et al. Theoretical Insights and the Corresponding Construction of Supported Metal Catalysts for Highly Selective CO2 to CO Conversion[J]. ACS CATALYSIS,2017,7(7):4613-4620. |
| APA | Zhang, Tao.,Chen, Xiaodong.,Su, Xiong.,Su, Hai-Yan.,Liu, Xiaoyan.,...&Huang, Yanqiang.(2017).Theoretical Insights and the Corresponding Construction of Supported Metal Catalysts for Highly Selective CO2 to CO Conversion.ACS CATALYSIS,7(7),4613-4620. |
| MLA | Zhang, Tao,et al."Theoretical Insights and the Corresponding Construction of Supported Metal Catalysts for Highly Selective CO2 to CO Conversion".ACS CATALYSIS 7.7(2017):4613-4620. |
入库方式： OAI收割
来源：大连化学物理研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。