纳米团簇
离解(化学)
一氧化碳
扫描隧道显微镜
吸附
托尔
密度泛函理论
化学
分子
活化能
星团(航天器)
铜
结合能
钴
金属
化学物理
分析化学(期刊)
材料科学
无机化学
物理化学
纳米技术
催化作用
计算化学
原子物理学
热力学
有机化学
计算机科学
程序设计语言
生物化学
色谱法
物理
作者
Baran Eren,Danylo Zherebetskyy,Laerte L. Patera,Chenghao Wu,Hendrik Bluhm,Cristina Africh,Lin‐Wang Wang,Gábor A. Somorjai,Miquel Salmerón
出处
期刊:Science
[American Association for the Advancement of Science (AAAS)]
日期:2016-01-29
卷期号:351 (6272): 475-478
被引量:245
标识
DOI:10.1126/science.aad8868
摘要
The (111) surface of copper (Cu), its most compact and lowest energy surface, became unstable when exposed to carbon monoxide (CO) gas. Scanning tunneling microscopy revealed that at room temperature in the pressure range 0.1 to 100 Torr, the surface decomposed into clusters decorated by CO molecules attached to edge atoms. Between 0.2 and a few Torr CO, the clusters became mobile in the scale of minutes. Density functional theory showed that the energy gain from CO binding to low-coordinated Cu atoms and the weakening of binding of Cu to neighboring atoms help drive this process. Particularly for softer metals, the optimal balance of these two effects occurs near reaction conditions. Cluster formation activated the surface for water dissociation, an important step in the water-gas shift reaction.
科研通智能强力驱动
Strongly Powered by AbleSci AI