GSTDTAP  > 地球科学
DOI10.1126/science.aaw6378
Imaging covalent bond formation by H atom scattering from graphene
Jiang, Hongyan1,2; Kammler, Marvin1,2; Ding, Feizhi3; Dorenkamp, Yvonne1,2; Manby, Frederick R.4; Wodtke, Alec M.1,2,5; Miller, Thomas F., III3; Kandratsenka, Alexander2; Buenermann, Oliver1,5
2019-04-26
发表期刊SCIENCE
ISSN0036-8075
EISSN1095-9203
出版年2019
卷号364期号:6438页码:379-+
文章类型Article
语种英语
国家Germany; USA; England
英文摘要

Viewing the atomic-scale motion and energy dissipation pathways involved in forming a covalent bond is a longstanding challenge for chemistry. We performed scattering experiments of H atoms from graphene and observed a bimodal translational energy loss distribution. Using accurate first-principles dynamics simulations, we show that the quasi-elastic channel involves scattering through the physisorption well where collision sites are near the centers of the six-membered C-rings. The second channel results from transient C-H bond formation, where H atoms lose 1 to 2 electron volts of energy within a 10-femtosecond interaction time. This remarkably rapid form of intramolecular vibrational relaxation results from the C atom's rehybridization during bond formation and is responsible for an unexpectedly high sticking probability of H on graphene.


领域地球科学 ; 气候变化 ; 资源环境
收录类别SCI-E
WOS记录号WOS:000465643400045
WOS关键词INITIO MOLECULAR-DYNAMICS ; TOTAL-ENERGY CALCULATIONS ; VIBRATIONAL-ENERGY ; BASIS-SETS ; DENSITY ; TRANSITION ; RESONANCES ; RELAXATION ; FLOW
WOS类目Multidisciplinary Sciences
WOS研究方向Science & Technology - Other Topics
引用统计
文献类型期刊论文
条目标识符http://119.78.100.173/C666/handle/2XK7JSWQ/201292
专题地球科学
资源环境科学
气候变化
作者单位1.Georg August Univ Gottingen, Inst Phys Chem, Tammannstr 6, D-37077 Gottingen, Germany;
2.Max Planck Inst Biophys Chem, Dept Dynam Surfaces, Fassberg 11, D-37077 Gottingen, Germany;
3.CALTECH, Div Chem & Chem Engn, Pasadena, CA 91125 USA;
4.Univ Bristol, Sch Chem, Bristol BS8 1TS, Avon, England;
5.Georg August Univ Gottingen, Int Ctr Adv Studies Energy Convers, Tammannstr 6, D-37077 Gottingen, Germany
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GB/T 7714
Jiang, Hongyan,Kammler, Marvin,Ding, Feizhi,et al. Imaging covalent bond formation by H atom scattering from graphene[J]. SCIENCE,2019,364(6438):379-+.
APA Jiang, Hongyan.,Kammler, Marvin.,Ding, Feizhi.,Dorenkamp, Yvonne.,Manby, Frederick R..,...&Buenermann, Oliver.(2019).Imaging covalent bond formation by H atom scattering from graphene.SCIENCE,364(6438),379-+.
MLA Jiang, Hongyan,et al."Imaging covalent bond formation by H atom scattering from graphene".SCIENCE 364.6438(2019):379-+.
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